N-(3-fluoranyl-4-methyl-phenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C23H19FN4O2S MolecularWeight: 434.485963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C)F

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C)F

InChI

InChI=1S/C23H19FN4O2S/c1-14-9-10-25-20(11-14)28-22(30)17-5-3-4-6-19(17)27-23(28)31-13-21(29)26-16-8-7-15(2)18(24)12-16/h3-12H,13H2,1-2H3,(H,26,29)