ethyl 4-azanyl-2-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N5O5S MolecularWeight: 391.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O5S/c1-3-26-15(23)11-7-18-16(20-14(11)17)27-8-13(22)19-12-5-4-10(21(24)25)6-9(12)2/h4-7H,3,8H2,1-2H3,(H,19,22)(H2,17,18,20)