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

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-methylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN4O2S/c1-14-10-11-16(12-19(14)26)30-24(32)17-7-3-4-9-20(17)27-25(30)33-13-21-28-22-15(2)6-5-8-18(22)23(31)29-21/h3-12H,13H2,1-2H3,(H,28,29,31)