AC1N24Q0
7-[(4-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5732452:001|AB00675525-01|SR-01000013656-1|F1614-0183|7-[(4-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione|7-(4-chlorobenzyl)-3-methyl-8-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione|7-[(4-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[(4-chlorophenyl)methyl]-3-methyl-8-(5-methyl(1,3,4-thiadiazol-2-ylthio))-1, 3,7-trihydropurine-2,6-dione
| Molecular Formula | C16H13ClN6O2S2 |
|---|---|
| Molecular Weight | 420.02298 g/mol |
| LogP | 2.43612 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.02298 |
| Monoisotopic Mass | 420.02298 |
| Heavy Atoms | 27 |
| Complexity | 1254.8807 |
Chemical Identifiers
| CAS Number | 674357-51-8 |
|---|---|
| SMILES | CC1=NN=C(S1)SC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C |
Product Overview
AC1N24Q0 (CAS 674357-51-8), with molecular formula C16H13ClN6O2S2 and molecular weight 420.02298 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione.