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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-nitro-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-hydroxy-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-hydroxy-4-nitroanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-hydroxy-4-nitroanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-hydroxy-4-nitro-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15N5O6S MolecularWeight: 393.3745

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O6S/c1-2-26-14(23)9-6-17-15(19-13(9)16)27-7-12(22)18-10-4-3-8(20(24)25)5-11(10)21/h3-6,21H,2,7H2,1H3,(H,18,22)(H2,16,17,19)