methyl 1-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=CC(=O)N2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C13H17N3O4S/c1-20-12(19)9-3-6-16(7-4-9)11(18)8-21-13-14-5-2-10(17)15-13/h2,5,9H,3-4,6-8H2,1H3,(H,14,15,17)