AC1LJSGM
1,3-dimethyl-7-(2-methylprop-2-enyl)-8-phenacylsulfanylpurine-2,6-dione
Also Known As: Oprea1_070284|Oprea1_554129|BAS 01547108|UPCMLD0ENAT5731856:001|SR-01000363256-1|1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7-(2-methylprop-2-enyl)-8-phenacylsulfanylpurine-2,6-dione|1,3-dimethyl-7-(2-methylallyl)-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione|1,3-dimethyl-7-(2-methyl-2-propenyl)-8-[(2-oxo-2-phenylethyl)thio]-3,7-dihydro-1H-purine-2,6-dione|1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(2-oxo-2-phenylethylthio)-1,3,7-trihydr opurine-2,6-dione
| Molecular Formula | C19H20N4O3S |
|---|---|
| Molecular Weight | 384.1256 g/mol |
| LogP | 1.9848 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.1256 |
| Monoisotopic Mass | 384.1256 |
| Heavy Atoms | 27 |
| Complexity | 1155.642 |
Chemical Identifiers
| CAS Number | 373376-50-2 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C |
Product Overview
AC1LJSGM (CAS 373376-50-2), with molecular formula C19H20N4O3S and molecular weight 384.1256 g/mol. IUPAC: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-phenacylsulfanylpurine-2,6-dione.