1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]isonipecotic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C14H19N3O3S/c1-9-7-10(2)16-14(15-9)21-8-12(18)17-5-3-11(4-6-17)13(19)20/h7,11H,3-6,8H2,1-2H3,(H,19,20)