1,3,7-trimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-2777 |
| Compound Name: | 1,3,7-trimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 317.37 |
| Molecular Formula: | C14 H15 N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)SCc2ccccn2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6114 |
| logD: | 1.6051 |
| logSw: | -2.03 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.639 |
| InChI Key: | ZUKPSLOIJJNDAO-UHFFFAOYSA-N |