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

Systemtic Name: 3-(2-methylpropyl)-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-isobutyl-quinazolin-4-one CAS Name: 2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-3-isobutyl-quinazolin-4-one Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-13(2)11-24-21(27)17-5-3-4-6-18(17)23-22(24)29-12-14-9-20(26)28-19-10-15(25)7-8-16(14)19/h3-10,13,25H,11-12H2,1-2H3