AC1MJ7YR
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
Also Known As: Oprea1_170592|Oprea1_849235|NCGC00274703-01|BAS 00458103|7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-(isobutylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|AB00667647-01|AB00667647-02|AG-690/11060033|F0373-0678|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2-methylpropyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylthio)-1,3,7- trihydropurine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(isobutylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H23ClN4O4S |
|---|---|
| Molecular Weight | 438.11285 g/mol |
| LogP | 2.2647 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.11285 |
| Monoisotopic Mass | 438.11285 |
| Heavy Atoms | 29 |
| Complexity | 1104.3251 |
Chemical Identifiers
| CAS Number | 331675-55-9 |
|---|---|
| SMILES | CC(C)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
AC1MJ7YR (CAS 331675-55-9), with molecular formula C19H23ClN4O4S and molecular weight 438.11285 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione.