[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

C/C=C/C=C/C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C16H20N4O3/c1-2-3-4-6-15(22)23-13-14(21)19-9-11-20(12-10-19)16-17-7-5-8-18-16/h2-8H,9-13H2,1H3/b3-2+,6-4+