1,3,7-trimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8009-3121 |
| Compound Name: | 1,3,7-trimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 307.33 |
| Molecular Formula: | C11 H13 N7 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nncn2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3953 |
| logD: | 0.3953 |
| logSw: | -1.2434 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.862 |
| InChI Key: | DVOWEJVZUPRTFP-UHFFFAOYSA-N |