3-butyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-butyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C23H22N2O4S/c1-3-4-11-25-22(28)17-7-5-6-8-18(17)24-23(25)30-13-15-12-20(27)29-21-14(2)19(26)10-9-16(15)21/h5-10,12,26H,3-4,11,13H2,1-2H3