methyl 1-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2,6-dimethylpyrimidin-4-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-10-8-13(17-11(2)16-10)22-9-14(19)18-6-4-12(5-7-18)15(20)21-3/h8,12H,4-7,9H2,1-3H3