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

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-2-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=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C(=CC=C5)Cl)C

Isomeric SMILES

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

InChI

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