3-(3,5-dimethylphenyl)-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC(=C5)C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C26H22N4O2S/c1-15-11-16(2)13-18(12-15)30-25(32)19-8-4-5-10-21(19)27-26(30)33-14-22-28-23-17(3)7-6-9-20(23)24(31)29-22/h4-13H,14H2,1-3H3,(H,28,29,31)