ethyl 5-nitro-2-(pyrimidin-2-ylcarbamoylamino)sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-(pyrimidin-2-ylcarbamoylamino)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-nitro-2-(pyrimidin-2-ylcarbamoylamino)sulfanyl-pyridine-3-carboxylate CAS Name: 5-nitro-2-[[[oxo-(2-pyrimidinylamino)methyl]amino]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-(pyrimidin-2-ylcarbamoylamino)sulfanylpyridine-3-carboxylate Traditional Name: 5-nitro-2-[(2-pyrimidylcarbamoylamino)thio]nicotinic acid ethyl ester Formula: C13H12N6O5S MolecularWeight: 364.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1SNC(=O)NC2=NC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1SNC(=O)NC2=NC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O5S/c1-2-24-11(20)9-6-8(19(22)23)7-16-10(9)25-18-13(21)17-12-14-4-3-5-15-12/h3-7H,2H2,1H3,(H2,14,15,17,18,21)