2-[2-[(5-bromanylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(5-bromanylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(5-bromopyrimidin-2-yl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(5-bromo-2-pyrimidinyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(5-bromopyrimidin-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(5-bromopyrimidin-2-yl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C12H9BrN4O3S MolecularWeight: 369.19386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrN4O3S/c13-7-4-15-12(16-5-7)17-9(18)6-21-10-8(11(19)20)2-1-3-14-10/h1-5H,6H2,(H,19,20)(H,15,16,17,18)