ethyl 2-methylsulfanyl-1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-1-[2-(3-nitroanilino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-1-[2-(3-nitroanilino)-2-oxoethyl]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-1-[2-(3-nitroanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(3-nitroanilino)ethyl]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C16H16N4O6S/c1-3-26-15(23)12-8-17-16(27-2)19(14(12)22)9-13(21)18-10-5-4-6-11(7-10)20(24)25/h4-8H,3,9H2,1-2H3,(H,18,21)