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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCCCC2C(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCCCC2C(=O)O)Cl

InChI

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