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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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1 – 15 de 101 résultats
1

Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%

CAS: 362-75-4 Formule moléculaire: C13H17N5O4 Poids moléculaire (g/mol): 307.31 Numéro MDL: MFCD00005756 Clé InChI: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonyme: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 CID PubChem: 2723654 Nom IUPAC: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12

Poids moléculaire (g/mol) 307.31
Synonyme 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185
Numéro MDL MFCD00005756
CAS 362-75-4
CID PubChem 2723654
Nom IUPAC [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
Clé InChI LCCLUOXEZAHUNS-AUWRGFAENA-N
SMILES CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
Formule moléculaire C13H17N5O4
2

2,6-Diaminopurine, 98%

CAS: 1904-98-9 Formule moléculaire: C5H6N6 Poids moléculaire (g/mol): 150.145 Numéro MDL: MFCD00213668 Clé InChI: MSSXOMSJDRHRMC-UHFFFAOYSA-N Synonyme: 2,6-diaminopurine,9h-purine-2,6-diamine,2-aminoadenine,1h-purine-2,6-diamine,2,6-diamino-9h-purine,purine, 2,6-diamino,purine-2,6-diyldiamine,unii-49p95bau4z,ccris 923,purine-2,6-diamine CID PubChem: 30976 ChEBI: CHEBI:40235 Nom IUPAC: 7H-purine-2,6-diamine SMILES: C1=NC2=C(N1)C(=NC(=N2)N)N

Poids moléculaire (g/mol) 150.145
Synonyme 2,6-diaminopurine,9h-purine-2,6-diamine,2-aminoadenine,1h-purine-2,6-diamine,2,6-diamino-9h-purine,purine, 2,6-diamino,purine-2,6-diyldiamine,unii-49p95bau4z,ccris 923,purine-2,6-diamine
Numéro MDL MFCD00213668
CAS 1904-98-9
CID PubChem 30976
ChEBI CHEBI:40235
Nom IUPAC 7H-purine-2,6-diamine
Clé InChI MSSXOMSJDRHRMC-UHFFFAOYSA-N
SMILES C1=NC2=C(N1)C(=NC(=N2)N)N
Formule moléculaire C5H6N6
3

Caffeine, 99%

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

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

2-Amino-6-hydroxy-8-mercaptopurine, 97%

CAS: 28128-40-7 Formule moléculaire: C5H5N5OS Poids moléculaire (g/mol): 183.19 Numéro MDL: MFCD00075623 Clé InChI: JHEKNTQSGTVPAO-UHFFFAOYSA-N Synonyme: 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one CID PubChem: 2725005 Nom IUPAC: 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one SMILES: C12=C(NC(=NC1=O)N)NC(=S)N2

Poids moléculaire (g/mol) 183.19
Synonyme 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one
Numéro MDL MFCD00075623
CAS 28128-40-7
CID PubChem 2725005
Nom IUPAC 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one
Clé InChI JHEKNTQSGTVPAO-UHFFFAOYSA-N
SMILES C12=C(NC(=NC1=O)N)NC(=S)N2
Formule moléculaire C5H5N5OS
5

7-Methylxanthine, 98%

CAS: 552-62-5 Formule moléculaire: C6H6N4O2 Poids moléculaire (g/mol): 166.14 Numéro MDL: MFCD00037979 Clé InChI: PFWLFWPASULGAN-UHFFFAOYSA-N Synonyme: 7-methylxanthine,heteroxanthine,heteroxanthin,7-methylxanthin,7-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-7-methylpurine,xanthine, 7-methyl,3,7-dihydro-7-methyl-1h-purine-2,6-dione,7-methyl-3,7-dihydro-1h-purine-2,6-dione,1h-purine-2,6-dione, 3,7-dihydro-7-methyl CID PubChem: 68374 ChEBI: CHEBI:48991 SMILES: CN1C=NC2=C1C(=O)NC(=O)N2

Poids moléculaire (g/mol) 166.14
Synonyme 7-methylxanthine,heteroxanthine,heteroxanthin,7-methylxanthin,7-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-7-methylpurine,xanthine, 7-methyl,3,7-dihydro-7-methyl-1h-purine-2,6-dione,7-methyl-3,7-dihydro-1h-purine-2,6-dione,1h-purine-2,6-dione, 3,7-dihydro-7-methyl
Numéro MDL MFCD00037979
CAS 552-62-5
CID PubChem 68374
ChEBI CHEBI:48991
Clé InChI PFWLFWPASULGAN-UHFFFAOYSA-N
SMILES CN1C=NC2=C1C(=O)NC(=O)N2
Formule moléculaire C6H6N4O2
6

Theobromine, 99%

CAS: 83-67-0 Formule moléculaire: C7H8N4O2 Poids moléculaire (g/mol): 180.17 Numéro MDL: MFCD00022830 Clé InChI: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonyme: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin CID PubChem: 5429 ChEBI: CHEBI:28946 Nom IUPAC: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Poids moléculaire (g/mol) 180.17
Synonyme theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
Numéro MDL MFCD00022830
CAS 83-67-0
CID PubChem 5429
ChEBI CHEBI:28946
Nom IUPAC 3,7-dimethylpurine-2,6-dione
Clé InChI YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Formule moléculaire C7H8N4O2
7

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

CAS: 479-18-5 Formule moléculaire: C10H14N4O4 Poids moléculaire (g/mol): 254.24 Numéro MDL: MFCD00005759 Clé InChI: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonyme: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline CID PubChem: 3182 ChEBI: CHEBI:4728 Nom IUPAC: 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

Poids moléculaire (g/mol) 254.24
Synonyme dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline
Numéro MDL MFCD00005759
CAS 479-18-5
CID PubChem 3182
ChEBI CHEBI:4728
Nom IUPAC 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Clé InChI KSCFJBIXMNOVSH-UHFFFAOYSA-N
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
Formule moléculaire C10H14N4O4
8

CGS 21680 hydrochloride, 99%

CAS: 120225-54-9 Formule moléculaire: C23H30ClN7O6 Poids moléculaire (g/mol): 535.986 Numéro MDL: MFCD11045878 Clé InChI: QPHVMNOEKKJYJO-XWOZMEDYSA-N Synonyme: cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate CID PubChem: 133639586 Nom IUPAC: 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl

Poids moléculaire (g/mol) 535.986
Synonyme cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate
Numéro MDL MFCD11045878
CAS 120225-54-9
CID PubChem 133639586
Nom IUPAC 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride
Clé InChI QPHVMNOEKKJYJO-XWOZMEDYSA-N
SMILES CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl
Formule moléculaire C23H30ClN7O6
10

3-Isobutyl-1-methylxanthine

CAS: 28822-58-4 Formule moléculaire: C10H14N4O2 Poids moléculaire (g/mol): 222.25 Numéro MDL: MFCD00005584 Clé InChI: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonyme: 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine CID PubChem: 3758 ChEBI: CHEBI:43253 Nom IUPAC: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O

Poids moléculaire (g/mol) 222.25
Synonyme 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine
Numéro MDL MFCD00005584
CAS 28822-58-4
CID PubChem 3758
ChEBI CHEBI:43253
Nom IUPAC 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Clé InChI APIXJSLKIYYUKG-UHFFFAOYSA-N
SMILES CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O
Formule moléculaire C10H14N4O2
11

Thermo Scientific Chemicals 2'-O-Methyladenosine, 99%

CAS: 2140-79-6 Formule moléculaire: C11H15N5O4 Poids moléculaire (g/mol): 281.27 Numéro MDL: MFCD00056002 Clé InChI: FPUGCISOLXNPPC-IOSLPCCCSA-N Synonyme: 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b CID PubChem: 102213 ChEBI: CHEBI:69426 Nom IUPAC: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12

Poids moléculaire (g/mol) 281.27
Synonyme 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b
Numéro MDL MFCD00056002
CAS 2140-79-6
CID PubChem 102213
ChEBI CHEBI:69426
Nom IUPAC (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
Clé InChI FPUGCISOLXNPPC-IOSLPCCCSA-N
SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12
Formule moléculaire C11H15N5O4
12

4,6-Dihydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98+%

CAS: 2465-59-0 Formule moléculaire: C5H4N4O2 Poids moléculaire (g/mol): 152.113 Numéro MDL: MFCD00056934 Clé InChI: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 4644 ChEBI: CHEBI:28315 Nom IUPAC: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione SMILES: C1=C2C(=NC(=O)NC2=O)NN1

Poids moléculaire (g/mol) 152.113
Synonyme 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
Numéro MDL MFCD00056934
CAS 2465-59-0
CID PubChem 4644
ChEBI CHEBI:28315
Nom IUPAC 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
Clé InChI HXNFUBHNUDHIGC-UHFFFAOYSA-N
SMILES C1=C2C(=NC(=O)NC2=O)NN1
Formule moléculaire C5H4N4O2
13

Doxofylline

CAS: 69975-86-6 Formule moléculaire: C11H14N4O4 Poids moléculaire (g/mol): 266.257 Numéro MDL: MFCD00865218 Clé InChI: HWXIGFIVGWUZAO-UHFFFAOYSA-N Synonyme: doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin CID PubChem: 50942 Nom IUPAC: 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3

Poids moléculaire (g/mol) 266.257
Synonyme doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin
Numéro MDL MFCD00865218
CAS 69975-86-6
CID PubChem 50942
Nom IUPAC 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
Clé InChI HWXIGFIVGWUZAO-UHFFFAOYSA-N
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
Formule moléculaire C11H14N4O4
14

1-Methyladenine, 95%, Thermo Scientific Chemicals

CAS: 5142-22-3 Formule moléculaire: C6H7N5 Poids moléculaire (g/mol): 149.16 Numéro MDL: MFCD00010532 Clé InChI: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 78821 ChEBI: CHEBI:18083 Nom IUPAC: 1-methylpurin-6-amine SMILES: CN1C=NC2=NC=NC2=C1N

Poids moléculaire (g/mol) 149.16
Synonyme 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
Numéro MDL MFCD00010532
CAS 5142-22-3
CID PubChem 78821
ChEBI CHEBI:18083
Nom IUPAC 1-methylpurin-6-amine
Clé InChI HPZMWTNATZPBIH-UHFFFAOYSA-N
SMILES CN1C=NC2=NC=NC2=C1N
Formule moléculaire C6H7N5
15

Theophylline-7-acetic acid, 98%

CAS: 652-37-9 Formule moléculaire: C9H9N4NaO4 Poids moléculaire (g/mol): 260.19 Numéro MDL: MFCD00022832 Clé InChI: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonyme: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid CID PubChem: 69550 Nom IUPAC: 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

Poids moléculaire (g/mol) 260.19
Synonyme acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid
Numéro MDL MFCD00022832
CAS 652-37-9
CID PubChem 69550
Nom IUPAC 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Clé InChI MSFVZSOKOXZSME-UHFFFAOYSA-M
SMILES [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
Formule moléculaire C9H9N4NaO4