8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
8-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(3,4-(Methylenedioxy)styryl)theophylline|8-[3,4-(Methylenedioxy)styryl]theophylline|(E)-8-(3,4-Methylenedioxystyryl)theophylline|Theophylline, 8-(3,4-(methylenedioxy)styryl)-|Theophylline, 8-[3,4-(methylenedioxy)styryl]-|8-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione|(E)-8-(2-(1,3-Benzodioxol-5-yl)ethenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1H-Purine-2,6-dione, 8-[2-(1,3-benzodioxol-5-yl)ethenyl]-3,7-dihydro-1,3-dimethyl-|8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-dimethyl-, (E)-|1H-Purine-2,6-dione,8-[(1E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3,7-dihydro-1,3-dimethyl- (9CI)|8-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.1015 g/mol |
| LogP | 0.86 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 1103.7 |
Chemical Identifiers
| CAS Number | 73908-79-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=CC3=CC4=C(C=C3)OCO4 |
Product Overview
8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 73908-79-9), with molecular formula C16H14N4O4 and molecular weight 326.1015 g/mol. IUPAC: 8-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione.
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