3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione
7-benzyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-Benzyltheophylline|N-Benzyl xanthine|7-benzyltheophyllin|Theophylline, 7-benzyl-|Doxofylline Impurity 42|Oprea1_094723|Oprea1_328533|7-Benzyl-1,3-dimethylxanthine|7-benzyl-1,3-dimethylpurine-2,6-dione|7-benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|PDSP1_001151|PDSP2_001135|7-benzyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|CL-5740|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-|NCGC00245303-01
| Molecular Formula | C14H14N4O2 |
|---|---|
| Molecular Weight | 270.11166 g/mol |
| LogP | 0.48 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.11166 |
| Heavy Atoms | 20 |
| Complexity | 887.2 |
Chemical Identifiers
| CAS Number | 1807-85-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3 |
Product Overview
3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione (CAS 1807-85-8), with molecular formula C14H14N4O2 and molecular weight 270.11166 g/mol. IUPAC: 7-benzyl-1,3-dimethylpurine-2,6-dione.
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