[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C16H15ClN4O6S MolecularWeight: 426.8315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H15ClN4O6S/c1-8(27-15(23)13-10(17)7-18-16(20-13)28-3)14(22)19-11-5-4-9(26-2)6-12(11)21(24)25/h4-8H,1-3H3,(H,19,22)