N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-5-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-5-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-3-ium-2-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-3-ium-2-yl]sulfanyl]acetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-hydroxy-6-keto-5-methyl-1H-pyrimidin-3-ium-2-yl]thio]-N-p-phenetyl-acetamide Formula: C21H21FN3O4S+ MolecularWeight: 430.472543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=[N+](C(=C(C(=O)N2)C)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=[N+](C(=C(C(=O)N2)C)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O4S/c1-3-29-17-10-6-15(7-11-17)23-18(26)12-30-21-24-19(27)13(2)20(28)25(21)16-8-4-14(22)5-9-16/h4-11H,3,12H2,1-2H3,(H2,23,26,27,28)/p+1