2-[3-(3,4-dimethoxyphenyl)-6-oxidanyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-6-oxidanyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxo-2-quinazolinyl]thio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxoquinazolin-2-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-keto-quinazolin-2-yl]thio]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C25H22FN3O5S MolecularWeight: 495.522683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)O)C(=O)N2C4=CC(=C(C=C4)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)O)C(=O)N2C4=CC(=C(C=C4)OC)OC)F

InChI

InChI=1S/C25H22FN3O5S/c1-14-4-5-15(10-19(14)26)27-23(31)13-35-25-28-20-8-7-17(30)12-18(20)24(32)29(25)16-6-9-21(33-2)22(11-16)34-3/h4-12,30H,13H2,1-3H3,(H,27,31)