1-(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]isonipecotic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H19N3O3S/c1-8-11(12(21-3)16-9(2)15-8)13(18)17-6-4-10(5-7-17)14(19)20/h10H,4-7H2,1-3H3,(H,19,20)