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

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-isopropylphenyl)quinazolin-4-one CAS Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-o-cumenyl-quinazolin-4-one Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN4O2S/c1-15(2)17-7-4-6-10-22(17)31-25(33)19-8-3-5-9-20(19)29-26(31)34-14-23-28-21-13-16(27)11-12-18(21)24(32)30-23/h3-13,15H,14H2,1-2H3,(H,28,30,32)