6-[(4-methylphenyl)sulfanylmethyl]-2-[2-oxidanylidene-2-(2,2,4-trimethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[2-oxidanylidene-2-(2,2,4-trimethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-(2,2,4-trimethyl-1-quinolyl)ethyl]sulfanyl-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-[[2-oxo-2-(2,2,4-trimethyl-1-quinolinyl)ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(2,2,4-trimethyl-1-quinolyl)ethyl]thio]-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)N3C4=CC=CC=C4C(=CC3(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)N3C4=CC=CC=C4C(=CC3(C)C)C

InChI

InChI=1S/C26H27N3O2S2/c1-17-9-11-20(12-10-17)32-15-19-13-23(30)28-25(27-19)33-16-24(31)29-22-8-6-5-7-21(22)18(2)14-26(29,3)4/h5-14H,15-16H2,1-4H3,(H,27,28,30)