3,9-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione
8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-benzylaminotheophylline|8-(Benzylamino)theophylline|Theophylline, 8-benzylamino-|ChemDiv2_000695|Oprea1_456132|Oprea1_603806|8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-|8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|4-26-00-03981 (Beilstein Handbook Reference)|SR-01000452382-1|3,7-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione|A2472/0104975|1,3-dimethyl-8-[benzylamino]-1,3,7-trihydropurine-2,6-dione|8-(benzylamino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)|1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-|3,9-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione
| Molecular Formula | C14H15N5O2 |
|---|---|
| Molecular Weight | 285.1226 g/mol |
| LogP | 0.57 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1226 |
| Heavy Atoms | 21 |
| Complexity | 904.7 |
Chemical Identifiers
| CAS Number | 57000-13-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=CC=C3 |
Product Overview
3,9-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione (CAS 57000-13-2), with molecular formula C14H15N5O2 and molecular weight 285.1226 g/mol. IUPAC: 8-(benzylamino)-1,3-dimethyl-7H-purine-2,6-dione.
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