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

Systemtic Name: 6-chloranyl-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-chloro-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC(C)C

InChI

InChI=1S/C22H21ClN4O2S/c1-12(2)10-27-21(29)16-9-14(23)7-8-17(16)24-22(27)30-11-18-25-19-13(3)5-4-6-15(19)20(28)26-18/h4-9,12H,10-11H2,1-3H3,(H,25,26,28)