7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
Also Known As: Oprea1_246666|VU0607876-1|7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione|2,5-Cyclohexadien-1-one,3-methyl-4,4-diphenyl|7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione|F3260-0616|7-ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|Purine-2,6(1H,3H)-dione, 8-benzoylmethylthio-7-ethyl-3-methyl-|1h-purine-2,6-dione, 7-ethyl-3,7-dihydro-3-methyl-8-[(2-oxo-2-phenylethyl)thio]-|7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-3,7-dihydro-1H-purine-2,6-dione|7-Ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|7-Ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione #
| Molecular Formula | C16H16N4O3S |
|---|---|
| Molecular Weight | 344.0943 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0943 |
| Monoisotopic Mass | 344.0943 |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 189149-72-2 |
|---|---|
| SMILES | CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C |
| InChIKey | JAAMADRFZMWEDR-UHFFFAOYSA-N |
Product Overview
7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 189149-72-2), with molecular formula C16H16N4O3S and molecular weight 344.0943 g/mol. IUPAC: 7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione.