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

Systemtic Name: ethyl 4-[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15FN4O6S MolecularWeight: 410.376903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H15FN4O6S/c1-3-27-15(23)13-8(2)18-16(24)20-14(13)28-7-12(22)19-9-4-5-10(17)11(6-9)21(25)26/h4-6H,3,7H2,1-2H3,(H,19,22)(H,18,20,24)