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

Systemtic Name: 2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 3-isobutyl-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 3-isobutyl-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H22N2O4S/c1-14(2)12-25-22(27)18-6-4-5-7-19(18)24-23(25)30-13-15-10-21(26)29-20-11-16(28-3)8-9-17(15)20/h4-11,14H,12-13H2,1-3H3