3-(2-methoxy-5-methyl-phenyl)-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-methoxy-5-methylphenyl)-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxy-5-methylphenyl)-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)C

InChI

InChI=1S/C27H22N2O4S/c1-16-9-11-23(32-3)22(12-16)29-26(31)20-6-4-5-7-21(20)28-27(29)34-15-18-14-25(30)33-24-13-17(2)8-10-19(18)24/h4-14H,15H2,1-3H3