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

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,4-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(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C(=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C(=CC=C5)C)C

InChI

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