ethyl 2-(pyrimidin-2-ylcarbamoylamino)sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-(pyrimidin-2-ylcarbamoylamino)sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-(pyrimidin-2-ylcarbamoylamino)sulfanylpyridine-3-carboxylate CAS Name: 2-[[[oxo-(2-pyrimidinylamino)methyl]amino]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyrimidin-2-ylcarbamoylamino)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-pyrimidylcarbamoylamino)thio]nicotinic acid ethyl ester Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SNC(=O)NC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SNC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C13H13N5O3S/c1-2-21-11(19)9-5-3-6-14-10(9)22-18-13(20)17-12-15-7-4-8-16-12/h3-8H,2H2,1H3,(H2,15,16,17,18,20)