6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-(2-pyrimidyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C16H20N4O3/c21-14(12-4-1-2-5-13(12)15(22)23)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h1-3,6-7,12-13H,4-5,8-11H2,(H,22,23)