ethyl 4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(3-fluoroanilino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(3-fluoroanilino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(3-fluoroanilino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=CC(=CC=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=CC(=CC=C2)F)C

InChI

InChI=1S/C16H16FN3O4S/c1-3-24-15(22)13-9(2)18-16(23)20-14(13)25-8-12(21)19-11-6-4-5-10(17)7-11/h4-7H,3,8H2,1-2H3,(H,19,21)(H,18,20,23)