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

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(2,3-dimethylcyclohexyl)quinazolin-4-one Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(2,3-dimethylcyclohexyl)quinazolin-4-one CAS Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(2,3-dimethylcyclohexyl)-4-quinazolinone IUPAC Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(2,3-dimethylcyclohexyl)quinazolin-4-one Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-(2,3-dimethylcyclohexyl)quinazolin-4-one Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C25H25ClN4O2S/c1-14-6-5-9-21(15(14)2)30-24(32)18-7-3-4-8-19(18)28-25(30)33-13-22-27-20-12-16(26)10-11-17(20)23(31)29-22/h3-4,7-8,10-12,14-15,21H,5-6,9,13H2,1-2H3,(H,27,29,31)