AC1MWTI2
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
Also Known As: Oprea1_114539|7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione|AB00667639-01|AG-690/11026009|F0373-0648|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-methylsulfanylpurine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(methylsulfanyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C16H17ClN4O4S |
|---|---|
| Molecular Weight | 396.06592 g/mol |
| LogP | 1.2385 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.06592 |
| Monoisotopic Mass | 396.06592 |
| Heavy Atoms | 26 |
| Complexity | 1041.3148 |
Chemical Identifiers
| CAS Number | 331675-32-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC(COC3=CC=C(C=C3)Cl)O |
Product Overview
AC1MWTI2 (CAS 331675-32-2), with molecular formula C16H17ClN4O4S and molecular weight 396.06592 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-methylsulfanylpurine-2,6-dione.