[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-chloranylpyridine-2-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=NC=CC(=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C16H16ClN5O3/c17-12-2-5-18-13(10-12)15(24)25-11-14(23)21-6-8-22(9-7-21)16-19-3-1-4-20-16/h1-5,10H,6-9,11H2