2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(2-pyrimidinylamino)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(2-pyrimidylamino)ethyl]thio]nicotinic acid Formula: C12H10N4O3S MolecularWeight: 290.2978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=NC=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=NC=CC=N2)C(=O)O

InChI

InChI=1S/C12H10N4O3S/c17-9(16-12-14-5-2-6-15-12)7-20-10-8(11(18)19)3-1-4-13-10/h1-6H,7H2,(H,18,19)(H,14,15,16,17)