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

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(C)C

InChI

InChI=1S/C23H23ClN4O2S/c1-13(2)9-10-28-22(30)16-8-7-15(24)11-18(16)25-23(28)31-12-19-26-20-14(3)5-4-6-17(20)21(29)27-19/h4-8,11,13H,9-10,12H2,1-3H3,(H,26,27,29)