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

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]quinazolin-4-one Formula: C25H17FN2O4S MolecularWeight: 460.476883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17FN2O4S/c1-14-6-7-16(11-20(14)26)28-24(31)19-4-2-3-5-21(19)27-25(28)33-13-15-10-23(30)32-22-12-17(29)8-9-18(15)22/h2-12,29H,13H2,1H3