3-(3-methylbutyl)-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-isopentyl-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methylbutyl)-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-isoamyl-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

InChI

InChI=1S/C24H24N2O3S/c1-15(2)10-11-26-23(28)19-6-4-5-7-20(19)25-24(26)30-14-17-13-22(27)29-21-12-16(3)8-9-18(17)21/h4-9,12-13,15H,10-11,14H2,1-3H3