Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.

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6-Thioguanine, 98%

CAS: 154-42-7 Formula molecolare: C5H5N5S Molecular Weight (g/mol): 167.19 Numero MDL: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Sinonimo: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 SMILES: NC1=NC(=S)C2=C(N1)N=CN2

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Specifiche

Sinonimo	6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol
Numero MDL	MFCD00233553
PubChem CID	2723601
Formula molecolare	C5H5N5S
CAS	154-42-7
Molecular Weight (g/mol)	167.19
ChEBI	CHEBI:9555
SMILES	NC1=NC(=S)C2=C(N1)N=CN2
InChI Key	WYWHKKSPHMUBEB-UHFFFAOYSA-N

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Caffeine, 98.5%, specified according to the req. of USP/BP

CAS: 58-08-2 Formula molecolare: C8H10N4O2 Molecular Weight (g/mol): 194.19 Numero MDL: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Sinonimo: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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Sinonimo	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
Numero MDL	MFCD00005758
PubChem CID	2519
Formula molecolare	C8H10N4O2
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
IUPAC Name	1,3,7-trimethylpurine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N

Xanthine, 98%

CAS: 69-89-6 Formula molecolare: C₅H₄N₄O₂ Molecular Weight (g/mol): 152.11 Numero MDL: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Sinonimo: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

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Sinonimo	xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
Numero MDL	MFCD00078453
PubChem CID	1188
Formula molecolare	C₅H₄N₄O₂
CAS	69-89-6
Molecular Weight (g/mol)	152.11
ChEBI	CHEBI:17712
SMILES	C1=NC2=C(N1)C(=O)NC(=O)N2
IUPAC Name	3,7-dihydropurine-2,6-dione
InChI Key	LRFVTYWOQMYALW-UHFFFAOYSA-N

Uric acid, +99%, Thermo Scientific Chemicals

CAS: 69-93-2 Formula molecolare: C5H4N4O3 Molecular Weight (g/mol): 168.112 Numero MDL: MFCD00005712 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Sinonimo: uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

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Sinonimo	uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro
Numero MDL	MFCD00005712
PubChem CID	1175
Formula molecolare	C5H4N4O3
CAS	69-93-2
Molecular Weight (g/mol)	168.112
ChEBI	CHEBI:17775
SMILES	C12=C(NC(=O)N1)NC(=O)NC2=O
IUPAC Name	7,9-dihydro-3H-purine-2,6,8-trione
InChI Key	LEHOTFFKMJEONL-UHFFFAOYSA-N

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Theobromine, 99%

CAS: 83-67-0 Formula molecolare: C7H8N4O2 Molecular Weight (g/mol): 180.167 Numero MDL: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Sinonimo: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

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Sinonimo	theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
Numero MDL	MFCD00022830
PubChem CID	5429
Formula molecolare	C7H8N4O2
CAS	83-67-0
Molecular Weight (g/mol)	180.167
ChEBI	CHEBI:28946
SMILES	CN1C=NC2=C1C(=O)NC(=O)N2C
IUPAC Name	3,7-dimethylpurine-2,6-dione
InChI Key	YAPQBXQYLJRXSA-UHFFFAOYSA-N

Sinonimo	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
Numero MDL	MFCD00005758
PubChem CID	2519
Formula molecolare	C8H10N4O2
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
IUPAC Name	1,3,7-trimethylpurine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N

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Caffeine, 99%

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Specifiche

Sinonimo	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
Numero MDL	MFCD00005758
PubChem CID	2519
Formula molecolare	C8H10N4O2
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N

Uric acid, 99%, Thermo Scientific Chemicals

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Specifiche

Sinonimo	uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro
Numero MDL	MFCD00005712
PubChem CID	1175
Formula molecolare	C5H4N4O3
CAS	69-93-2
Molecular Weight (g/mol)	168.112
ChEBI	CHEBI:17775
SMILES	C12=C(NC(=O)N1)NC(=O)NC2=O
IUPAC Name	7,9-dihydro-3H-purine-2,6,8-trione
InChI Key	LEHOTFFKMJEONL-UHFFFAOYSA-N

Theophylline, 99+%, anhydrous

CAS: 58-55-9 Formula molecolare: C₇H₈N₄O₂ Molecular Weight (g/mol): 180.17 Numero MDL: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Sinonimo: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

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Sinonimo	theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur
Numero MDL	MFCD00079619
PubChem CID	2153
Formula molecolare	C₇H₈N₄O₂
CAS	58-55-9
Molecular Weight (g/mol)	180.17
ChEBI	CHEBI:28177
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC=N2
IUPAC Name	1,3-dimethyl-7H-purine-2,6-dione
InChI Key	ZFXYFBGIUFBOJW-UHFFFAOYSA-N

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Thermo Scientific Chemicals Meropenem trihydrate

CAS: 119478-56-7 Formula molecolare: C17H31N3O8S Molecular Weight (g/mol): 437.51 InChI Key: CTUAQTBUVLKNDJ-TXBRDXQXSA-N IUPAC Name: (4R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate SMILES: O.O.O.C[C@H](O)C1C2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O

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Formula molecolare	C17H31N3O8S
CAS	119478-56-7
Molecular Weight (g/mol)	437.51
SMILES	O.O.O.C[C@H](O)C1C2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O
IUPAC Name	(4R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate
InChI Key	CTUAQTBUVLKNDJ-TXBRDXQXSA-N

1-Methyladenine, 95%, Thermo Scientific Chemicals

CAS: 5142-22-3 Formula molecolare: C6H7N5 Molecular Weight (g/mol): 149.16 Numero MDL: MFCD00010532 InChI Key: HPZMWTNATZPBIH-UHFFFAOYSA-N Sinonimo: 1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine PubChem CID: 78821 ChEBI: CHEBI:18083 IUPAC Name: 1-methylpurin-6-amine SMILES: CN1C=NC2=NC=NC2=C1N

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Sinonimo	1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine
Numero MDL	MFCD00010532
PubChem CID	78821
Formula molecolare	C6H7N5
CAS	5142-22-3
Molecular Weight (g/mol)	149.16
ChEBI	CHEBI:18083
SMILES	CN1C=NC2=NC=NC2=C1N
IUPAC Name	1-methylpurin-6-amine
InChI Key	HPZMWTNATZPBIH-UHFFFAOYSA-N

Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Formula molecolare: C5H5N5 Molecular Weight (g/mol): 135.13 Numero MDL: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Sinonimo: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

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Sinonimo	adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
Numero MDL	MFCD00041790
PubChem CID	190
Formula molecolare	C5H5N5
CAS	73-24-5
Molecular Weight (g/mol)	135.13
ChEBI	CHEBI:16708
SMILES	NC1=C2NC=NC2=NC=N1
IUPAC Name	7H-purin-6-amine
InChI Key	GFFGJBXGBJISGV-UHFFFAOYSA-N

Thermo Scientific Chemicals Adenine sulfate, 98%, synthetic

CAS: 321-30-2 Formula molecolare: C10H12N10O4S Molecular Weight (g/mol): 368.33 Numero MDL: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Sinonimo: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: 7H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

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Specifiche

Sinonimo	adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m
Numero MDL	MFCD00213655
PubChem CID	9449
Formula molecolare	C10H12N10O4S
CAS	321-30-2
Molecular Weight (g/mol)	368.33
SMILES	OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
IUPAC Name	7H-purin-6-amine;sulfuric acid
InChI Key	LQXHSCOPYJCOMD-UHFFFAOYSA-N

Thermo Scientific Chemicals Adenine sulfate, 98+%

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Specifiche

Sinonimo	adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m
Numero MDL	MFCD00213655
PubChem CID	9449
Formula molecolare	C10H12N10O4S
CAS	321-30-2
Molecular Weight (g/mol)	368.33
SMILES	OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
IUPAC Name	7H-purin-6-amine;sulfuric acid
InChI Key	LQXHSCOPYJCOMD-UHFFFAOYSA-N

Thermo Scientific Chemicals Adenine, 99%

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Specifiche

Sinonimo	adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
Numero MDL	MFCD00041790
PubChem CID	190
Formula molecolare	C5H5N5
CAS	73-24-5
Molecular Weight (g/mol)	135.13
ChEBI	CHEBI:16708
SMILES	NC1=C2NC=NC2=NC=N1
IUPAC Name	7H-purin-6-amine
InChI Key	GFFGJBXGBJISGV-UHFFFAOYSA-N

Imidazopyrimidines

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