AC1MJ7WF
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione
Also Known As: Oprea1_573812|Oprea1_857677|BAS 00458062|NCGC00098456-01|NCGC00098456-02|AB01278669-01|AG-690/11060010|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione|7-(3-(4-CL-PHENOXY)-2-HO-PR)-8-ETHYLSULFANYL-3-ME-3,7-DIHYDRO-PURINE-2,6-DIONE|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione|7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-(ethylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(ethylsulfanyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-ethylthio-3-methyl-1,3,7-trihydropur ine-2,6-dione
| Molecular Formula | C17H19ClN4O4S |
|---|---|
| Molecular Weight | 410.08154 g/mol |
| LogP | 1.6286 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.08154 |
| Monoisotopic Mass | 410.08154 |
| Heavy Atoms | 27 |
| Complexity | 1057.7112 |
Chemical Identifiers
| CAS Number | 331675-33-3 |
|---|---|
| SMILES | CCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
AC1MJ7WF (CAS 331675-33-3), with molecular formula C17H19ClN4O4S and molecular weight 410.08154 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione.