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

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 3-isobutyl-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 3-isobutyl-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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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)N3CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C

InChI

InChI=1S/C23H22N2O3S/c1-14(2)12-25-22(27)18-6-4-5-7-19(18)24-23(25)29-13-16-11-21(26)28-20-10-15(3)8-9-17(16)20/h4-11,14H,12-13H2,1-3H3