8-mercapto-1,3-dimethyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
1,3-dimethyl-7-(3-phenylpropyl)-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: Oprea1_326499|BAS 03058591|8-mercapto-1,3-dimethyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione|1,3-dimethyl-7-(3-phenylpropyl)-8-sulfanylidene-9H-purine-2,6-dione|F1051-0052|8-Mercapto-1,3-dimethyl-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione|1,3-dimethyl-7-(3-phenylpropyl)-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7-(3-phenylpropyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione|1,3-Dimethyl-7-(3-phenylpropyl)-8-sulfanylidene-3,7,8,9-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7-(3-phenylpropyl)-8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione|3,7,8,9-Tetrahydro-1,3-dimethyl-7-(3-phenylpropyl)-8-thioxo-1H-purine-2,6-dione|8-mercapto-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H18N4O2S |
|---|---|
| Molecular Weight | 330.11505 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11505 |
| Monoisotopic Mass | 330.11505 |
| Heavy Atoms | 23 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 972-68-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CCCC3=CC=CC=C3 |
| InChIKey | PLTCWTBIDCZDDZ-UHFFFAOYSA-N |
Product Overview
8-mercapto-1,3-dimethyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 972-68-9), with molecular formula C16H18N4O2S and molecular weight 330.11505 g/mol. IUPAC: 1,3-dimethyl-7-(3-phenylpropyl)-8-sulfanylidene-9H-purine-2,6-dione.