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

Systemtic Name: ethyl 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]isonipecotic acid ethyl ester Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3S/c1-3-21-13(20)9-4-6-18(7-5-9)12(19)11-10(15)8-16-14(17-11)22-2/h8-9H,3-7H2,1-2H3