1-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]isonipecotic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-7-9(10(21-2)15-13(20)14-7)11(17)16-5-3-8(4-6-16)12(18)19/h8H,3-6H2,1-2H3,(H,18,19)(H,14,15,20)