1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]isonipecotic acid Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)O)Cl

InChI

InChI=1S/C12H14ClN3O3S/c1-20-12-14-6-8(13)9(15-12)10(17)16-4-2-7(3-5-16)11(18)19/h6-7H,2-5H2,1H3,(H,18,19)