2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]nicotinic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-15-5-7-16(8-6-15)11(17)9-20-12-10(13(18)19)3-2-4-14-12/h2-4H,5-9H2,1H3,(H,18,19)