AC1MXMTY
8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-ethyl-3-methylpurine-2,6-dione
Also Known As: Oprea1_508729|NCGC00314574-01|VU0607877-1|2,5-Cyclohexadien-1-one,3-methyl-4,4-diphenyl|AB01309563-01|8-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione|F3260-0617|8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-ethyl-3-methylpurine-2,6-dione|8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-ethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H15ClN4O3S |
|---|---|
| Molecular Weight | 378.05533 g/mol |
| LogP | 2.0716 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.05533 |
| Monoisotopic Mass | 378.05533 |
| Heavy Atoms | 25 |
| Complexity | 1065.9038 |
Chemical Identifiers
| CAS Number | 189149-75-5 |
|---|---|
| SMILES | CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C |
Product Overview
AC1MXMTY (CAS 189149-75-5), with molecular formula C16H15ClN4O3S and molecular weight 378.05533 g/mol. IUPAC: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-ethyl-3-methylpurine-2,6-dione.