1,3,9-trimethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,9-trimethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
1,3,9-trimethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8432 |
| Compound Name: | 1,3,9-trimethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 330.41 |
| Molecular Formula: | C16 H18 N4 O2 S |
| Smiles: | Cc1cccc(CSc2nc3C(N(C)C(N(C)c3n2C)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3312 |
| logD: | 3.3312 |
| logSw: | -3.4779 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.04 |
| InChI Key: | IDMMRYAQIKIYAY-UHFFFAOYSA-N |