1-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-2-9-7-10(16)14-12(13-9)15-5-3-8(4-6-15)11(17)18/h7-8H,2-6H2,1H3,(H,17,18)(H,13,14,16)