2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-isobutyl-quinazolin-4-one CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 3-isobutyl-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C)C

InChI

InChI=1S/C24H24N2O3S/c1-14(2)12-26-23(28)18-7-5-6-8-20(18)25-24(26)30-13-17-11-22(27)29-21-10-16(4)15(3)9-19(17)21/h5-11,14H,12-13H2,1-4H3