AC1MJ7YO
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione
Also Known As: Oprea1_056943|Oprea1_735983|BAS 00458101|7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione|7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-prop-2-enylthio-1,3,7-trihydropurine- 2,6-dione|8-(allylthio)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione|6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.1205 g/mol |
| LogP | 1.1413 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.1205 |
| Monoisotopic Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 1054.8943 |
Chemical Identifiers
| CAS Number | 331675-53-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC(COC3=CC=CC=C3)O |
Product Overview
AC1MJ7YO (CAS 331675-53-7), with molecular formula C18H20N4O4S and molecular weight 388.1205 g/mol. IUPAC: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione.
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