3-(2,5-dimethoxyphenyl)-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxy-benzyl)thio]quinazolin-4-one Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C24H21FN2O4S/c1-29-16-9-11-22(31-3)20(13-16)27-23(28)17-6-4-5-7-19(17)26-24(27)32-14-15-8-10-21(30-2)18(25)12-15/h4-13H,14H2,1-3H3