[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C16H15Cl2N5O3 MolecularWeight: 396.228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2N5O3/c17-12-8-11(9-21-14(12)18)15(25)26-10-13(24)22-4-6-23(7-5-22)16-19-2-1-3-20-16/h1-3,8-9H,4-7,10H2