1,3,9-trimethyl-8-{[(pyridin-3-yl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,9-trimethyl-8-{[(pyridin-3-yl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
1,3,9-trimethyl-8-{[(pyridin-3-yl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8471 |
| Compound Name: | 1,3,9-trimethyl-8-{[(pyridin-3-yl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 317.37 |
| Molecular Formula: | C14 H15 N5 O2 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3951 |
| logD: | 1.2825 |
| logSw: | -1.255 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.558 |
| InChI Key: | WLEOLYQOBLJSPQ-UHFFFAOYSA-N |