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

Systemtic Name: 1-[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]isonipecotic acid Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCC(CC2)C(=O)O)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCC(CC2)C(=O)O)CCO

InChI

InChI=1S/C13H19N3O4/c1-8-10(4-7-17)11(18)15-13(14-8)16-5-2-9(3-6-16)12(19)20/h9,17H,2-7H2,1H3,(H,19,20)(H,14,15,18)