AC1MKHSF
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
Also Known As: BAS 08333539|UPCMLD0ENAT5731836:001|7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione|7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|7-(4-chlorobenzyl)-1,3-dimethyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1H-purine-2,6(3H,7H)-dione|7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methyl(1,2,4-triazol-3-ylthio))-1 ,3,7-trihydropurine-2,6-dione
| Molecular Formula | C17H16ClN7O2S |
|---|---|
| Molecular Weight | 417.07748 g/mol |
| LogP | 1.4151 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.07748 |
| Monoisotopic Mass | 417.07748 |
| Heavy Atoms | 28 |
| Complexity | 1300.2726 |
Chemical Identifiers
| CAS Number | 797775-59-8 |
|---|---|
| SMILES | CN1C=NN=C1SC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
AC1MKHSF (CAS 797775-59-8), with molecular formula C17H16ClN7O2S and molecular weight 417.07748 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione.
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