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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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Keyword Search:
16 – 30 of 440 results
16

Xanthine, 98%

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: 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

PubChem CID 1188
CAS 69-89-6
Molecular Weight (g/mol) 152.11
ChEBI CHEBI:17712
MDL Number MFCD00078453
SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym 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
IUPAC Name 3,7-dihydropurine-2,6-dione
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
17

Caffeine anhydrous, 99.7%, MP Biomedicals™

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-trimethyl-2,3,6,7-tetrahydro-1H-purine-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-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
18

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
19

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
20

Adenine Sulfate Dihydrate 98.0+%, TCI America™
SDP

CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

PubChem CID 44134512
CAS 6509-19-9
Molecular Weight (g/mol) 404.36
MDL Number MFCD00150149
SMILES O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2
IUPAC Name bis(7H-purin-6-amine) sulfuric acid dihydrate
InChI Key MKPCNMXYTMQZBE-UHFFFAOYSA-N
Molecular Formula C10H16N10O6S
21

Adenine 99.0+%, TCI America™
SDP

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
22

Theobromine 98.0+%, TCI America™
SDP

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
23

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
24

7-(2,3-Dihydroxypropyl)theophylline, 99%

CAS: 479-18-5 Molecular Formula: C10H14N4O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00005759 InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

PubChem CID 3182
CAS 479-18-5
Molecular Weight (g/mol) 254.24
ChEBI CHEBI:4728
MDL Number MFCD00005759
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
Synonym dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline
IUPAC Name 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
InChI Key KSCFJBIXMNOVSH-UHFFFAOYSA-N
Molecular Formula C10H14N4O4
25

Adenine Hydrochloride, ∼99%, MP Biomedicals™

CAS: 6055-72-7 Molecular Formula: C5H8ClN5O Molecular Weight (g/mol): 189.60 MDL Number: MFCD11046306 InChI Key: MYRDTAUFFBYTHA-UHFFFAOYSA-N Synonym: 7h-purin-6-amine hydrochloride hydrate,adenine hydrochloride hydrate,adenine hydrochloride hemihydrate,1h-purin-6-amine monohydrochloride hydrate 2:1,ade hydrate hydrochloride,purine-6-ylamine, chloride, hydrate,c5h5n5.hcl.h2o,adenine hydrochloride,adeninehydrochloridehemihydrate,vitamin b4 hydrate hydrochloride PubChem CID: 24211900 IUPAC Name: 7H-purin-6-amine hydrate hydrochloride SMILES: O.Cl.NC1=C2NC=NC2=NC=N1

PubChem CID 24211900
CAS 6055-72-7
Molecular Weight (g/mol) 189.60
MDL Number MFCD11046306
SMILES O.Cl.NC1=C2NC=NC2=NC=N1
Synonym 7h-purin-6-amine hydrochloride hydrate,adenine hydrochloride hydrate,adenine hydrochloride hemihydrate,1h-purin-6-amine monohydrochloride hydrate 2:1,ade hydrate hydrochloride,purine-6-ylamine, chloride, hydrate,c5h5n5.hcl.h2o,adenine hydrochloride,adeninehydrochloridehemihydrate,vitamin b4 hydrate hydrochloride
IUPAC Name 7H-purin-6-amine hydrate hydrochloride
InChI Key MYRDTAUFFBYTHA-UHFFFAOYSA-N
Molecular Formula C5H8ClN5O
26

Xanthine, 99%

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: 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

PubChem CID 1188
CAS 69-89-6
Molecular Weight (g/mol) 152.113
ChEBI CHEBI:17712
MDL Number MFCD00078453
SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym 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
IUPAC Name 3,7-dihydropurine-2,6-dione
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
27

6-Mercaptopurine monohydrate, 98%

CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445,MFCD01461928 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 3,7-dihydropurine-6-thione;hydrate SMILES: O.S=C1N=CNC2=C1NC=N2

PubChem CID 2724350
CAS 6112-76-1
Molecular Weight (g/mol) 170.19
ChEBI CHEBI:31822
MDL Number MFCD03854445,MFCD01461928
SMILES O.S=C1N=CNC2=C1NC=N2
Synonym 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5
IUPAC Name 3,7-dihydropurine-6-thione;hydrate
InChI Key WFFQYWAAEWLHJC-UHFFFAOYSA-N
Molecular Formula C5H6N4OS
28

7-(2-Hydroxyethyl)theophylline, Spectrum™ Chemical
SDP

CAS: 519-37-9

CAS 519-37-9
29

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
30

Theophylline, Thermo Scientific Chemicals

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: 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

PubChem CID 2153
CAS 58-55-9
Molecular Weight (g/mol) 180.167
ChEBI CHEBI:28177
MDL Number MFCD00079619
SMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2
Synonym theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur
IUPAC Name 1,3-dimethyl-7H-purine-2,6-dione
InChI Key ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Formula C7H8N4O2