ethyl 4-azanyl-2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(4-nitroanilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15N5O5S MolecularWeight: 377.3751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O5S/c1-2-25-14(22)11-7-17-15(19-13(11)16)26-8-12(21)18-9-3-5-10(6-4-9)20(23)24/h3-7H,2,8H2,1H3,(H,18,21)(H2,16,17,19)