1-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid Openeye Name: 1-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid CAS Name: 1-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid Traditional Name: 1-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)isonipecotic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C12H17N3O3/c1-7-8(2)13-12(14-10(7)16)15-5-3-9(4-6-15)11(17)18/h9H,3-6H2,1-2H3,(H,17,18)(H,13,14,16)