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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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Thermo Scientific Chemicals Adenine sulfate, 98%, synthetic

CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: 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

PubChem CID 9449
CAS 321-30-2
Molecular Weight (g/mol) 368.33
MDL Number MFCD00213655
SMILES OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym 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
IUPAC Name 7H-purin-6-amine;sulfuric acid
InChI Key LQXHSCOPYJCOMD-UHFFFAOYSA-N
Molecular Formula C10H12N10O4S
2
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1-Methyladenine, 95%, Thermo Scientific Chemicals

CAS: 5142-22-3 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010532 InChI Key: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonym: 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

PubChem CID 78821
CAS 5142-22-3
Molecular Weight (g/mol) 149.16
ChEBI CHEBI:18083
MDL Number MFCD00010532
SMILES CN1C=NC2=NC=NC2=C1N
Synonym 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
IUPAC Name 1-methylpurin-6-amine
InChI Key HPZMWTNATZPBIH-UHFFFAOYSA-N
Molecular Formula C6H7N5
3
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Caffeine, 99%

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

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
4

Caffeine, 99.7%

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 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

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethylpurine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
5
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Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: 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

PubChem CID 190
CAS 73-24-5
Molecular Weight (g/mol) 135.13
ChEBI CHEBI:16708
MDL Number MFCD00041790
SMILES NC1=C2NC=NC2=NC=N1
Synonym 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
IUPAC Name 7H-purin-6-amine
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5
6

Thermo Scientific Chemicals 3-Methyladenine, 90+%

CAS: 5142-23-4 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010531 InChI Key: FSASIHFSFGAIJM-UHFFFAOYSA-N Synonym: 3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma PubChem CID: 1673 ChEBI: CHEBI:38635 SMILES: CN1C=NC(N)=C2N=CN=C12

PubChem CID 1673
CAS 5142-23-4
Molecular Weight (g/mol) 149.16
ChEBI CHEBI:38635
MDL Number MFCD00010531
SMILES CN1C=NC(N)=C2N=CN=C12
Synonym 3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma
InChI Key FSASIHFSFGAIJM-UHFFFAOYSA-N
Molecular Formula C6H7N5
7
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Thermo Scientific Chemicals Adenine hydrochloride, 98+%, cont. up to ca 5% water

CAS: 2922-28-3 Molecular Formula: C5H6ClN5 Molecular Weight (g/mol): 171.59 MDL Number: MFCD00038990 InChI Key: UQVDQSWZQXDUJB-UHFFFAOYSA-N Synonym: adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 PubChem CID: 76219 IUPAC Name: 7H-purin-6-amine;hydrochloride SMILES: Cl.NC1=C2NC=NC2=NC=N1

PubChem CID 76219
CAS 2922-28-3
Molecular Weight (g/mol) 171.59
MDL Number MFCD00038990
SMILES Cl.NC1=C2NC=NC2=NC=N1
Synonym adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1
IUPAC Name 7H-purin-6-amine;hydrochloride
InChI Key UQVDQSWZQXDUJB-UHFFFAOYSA-N
Molecular Formula C5H6ClN5
8
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4,6-Dihydroxypyrazolo[3,4-d]pyrimidine, 99%

CAS: 2465-59-0 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00056934 InChI Key: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione SMILES: C1=C2C(=NC(=O)NC2=O)NN1

PubChem CID 4644
CAS 2465-59-0
Molecular Weight (g/mol) 152.11
ChEBI CHEBI:28315
MDL Number MFCD00056934
SMILES C1=C2C(=NC(=O)NC2=O)NN1
Synonym oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van
IUPAC Name 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
InChI Key HXNFUBHNUDHIGC-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
10
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Theobromine, 99%

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: 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

PubChem CID 5429
CAS 83-67-0
Molecular Weight (g/mol) 180.17
ChEBI CHEBI:28946
MDL Number MFCD00022830
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Synonym theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
IUPAC Name 3,7-dimethylpurine-2,6-dione
InChI Key YAPQBXQYLJRXSA-UHFFFAOYSA-N
Molecular Formula C7H8N4O2
11

9-Methyladenine, 98%, Thermo Scientific Chemicals

CAS: 700-00-5 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00047232 InChI Key: WRXCXOUDSPTXNX-UHFFFAOYSA-N Synonym: 9-methyladenine,9-methyl-9h-purin-6-amine,n9-methyladenine,9-methyl-9h-adenine,6-amino-9-methylpurine,9h-purin-6-amine, 9-methyl,adenine, 9-methyl,9-methyl-9h-purin-6-ylamine,ccris 6905,chembl65976 PubChem CID: 69689 ChEBI: CHEBI:40526 IUPAC Name: 9-methylpurin-6-amine SMILES: CN1C=NC2=C(N)N=CN=C12

PubChem CID 69689
CAS 700-00-5
Molecular Weight (g/mol) 149.16
ChEBI CHEBI:40526
MDL Number MFCD00047232
SMILES CN1C=NC2=C(N)N=CN=C12
Synonym 9-methyladenine,9-methyl-9h-purin-6-amine,n9-methyladenine,9-methyl-9h-adenine,6-amino-9-methylpurine,9h-purin-6-amine, 9-methyl,adenine, 9-methyl,9-methyl-9h-purin-6-ylamine,ccris 6905,chembl65976
IUPAC Name 9-methylpurin-6-amine
InChI Key WRXCXOUDSPTXNX-UHFFFAOYSA-N
Molecular Formula C6H7N5
12
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Theophylline-7-acetic acid, 98%

CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

PubChem CID 69550
CAS 652-37-9
Molecular Weight (g/mol) 260.19
MDL Number MFCD00022832
SMILES [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
Synonym acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid
IUPAC Name 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
InChI Key MSFVZSOKOXZSME-UHFFFAOYSA-M
Molecular Formula C9H9N4NaO4
13

Theobromine, 99%

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: 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

PubChem CID 5429
CAS 83-67-0
Molecular Weight (g/mol) 180.167
ChEBI CHEBI:28946
MDL Number MFCD00022830
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Synonym theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
IUPAC Name 3,7-dimethylpurine-2,6-dione
InChI Key YAPQBXQYLJRXSA-UHFFFAOYSA-N
Molecular Formula C7H8N4O2
14
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Thermo Scientific Chemicals Adenine sulfate, 98+%

CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: 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

PubChem CID 9449
CAS 321-30-2
Molecular Weight (g/mol) 368.33
MDL Number MFCD00213655
SMILES OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym 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
IUPAC Name 7H-purin-6-amine;sulfuric acid
InChI Key LQXHSCOPYJCOMD-UHFFFAOYSA-N
Molecular Formula C10H12N10O4S
15

6-Thioguanine, 98%

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 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

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