2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C25H19ClN4O2S/c1-15-6-8-16(9-7-15)13-30-24(32)19-4-2-3-5-20(19)28-25(30)33-14-22-27-21-12-17(26)10-11-18(21)23(31)29-22/h2-12H,13-14H2,1H3,(H,27,29,31)