AC1MJ7VL
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione
Also Known As: Oprea1_332216|Oprea1_521473|BAS 00458041|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione|7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-(ethylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(ethylsulfanyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-ethylthio-3-methyl-1,3,7-trihydropuri ne-2,6-dione
| Molecular Formula | C19H24N4O4S |
|---|---|
| Molecular Weight | 404.15182 g/mol |
| LogP | 1.5376 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.15182 |
| Monoisotopic Mass | 404.15182 |
| Heavy Atoms | 28 |
| Complexity | 1068.4576 |
Chemical Identifiers
| CAS Number | 331675-27-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC)N(C(=O)NC3=O)C)O |
Product Overview
AC1MJ7VL (CAS 331675-27-5), with molecular formula C19H24N4O4S and molecular weight 404.15182 g/mol. IUPAC: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione.
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