MLS000779392
13,13-dimethyl-6-(2-methylphenyl)-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one
Also Known As: 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one|AJ-292/41342514|SR-01000111440-1|13,13-Dimethyl-6-(2-methylphenyl)-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one|2-Mercapto-7,7-dimethyl-3-o-tolyl-3,5,7,8-tetrahydro-6-oxa-1,3,9-triaza-anthracen-4-one|2-mercapto-8,8-dimethyl-3-(o-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one|8,8-Dimethyl-3-(2-methylphenyl)-2-sulfanylidene-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one|8,8-dimethyl-3-(2-methylphenyl)-2-thioxo-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.1198 g/mol |
| LogP | 3.60301 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.1198 |
| Monoisotopic Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 1111.8328 |
Chemical Identifiers
| CAS Number | 5679-07-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(NC2=S)N=C4CC(OCC4=C3)(C)C |
Product Overview
MLS000779392 (CAS 5679-07-2), with molecular formula C19H19N3O2S and molecular weight 353.1198 g/mol. IUPAC: 13,13-dimethyl-6-(2-methylphenyl)-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one.