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

Systemtic Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4,6-dimethoxy-2-pyrimidinyl)-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C23H20FN5O4S MolecularWeight: 481.499403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC(=CC(=N4)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC(=CC(=N4)OC)OC)F

InChI

InChI=1S/C23H20FN5O4S/c1-13-8-9-14(10-16(13)24)29-21(31)15-6-4-5-7-17(15)25-23(29)34-12-18(30)26-22-27-19(32-2)11-20(28-22)33-3/h4-11H,12H2,1-3H3,(H,26,27,28,30)