methyl 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]isonipecotic acid methyl ester Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C13H16ClN3O3S/c1-20-12(19)8-3-5-17(6-4-8)11(18)10-9(14)7-15-13(16-10)21-2/h7-8H,3-6H2,1-2H3