2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 3-(4-fluorobenzyl)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C27H21FN2O3S MolecularWeight: 472.530643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F)C

InChI

InChI=1S/C27H21FN2O3S/c1-16-7-12-21-19(13-24(31)33-25(21)17(16)2)15-34-27-29-23-6-4-3-5-22(23)26(32)30(27)14-18-8-10-20(28)11-9-18/h3-13H,14-15H2,1-2H3