[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,4-bis(chloranyl)-5-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,4-bis(chloranyl)-5-fluoranyl-benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,4-dichloro-5-fluoro-benzoate CAS Name: 2,4-dichloro-5-fluorobenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,4-dichloro-5-fluorobenzoate Traditional Name: 2,4-dichloro-5-fluoro-benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C17H15Cl2FN4O3 MolecularWeight: 413.230403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC(=C(C=C3Cl)Cl)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC(=C(C=C3Cl)Cl)F

InChI

InChI=1S/C17H15Cl2FN4O3/c18-12-9-13(19)14(20)8-11(12)16(26)27-10-15(25)23-4-6-24(7-5-23)17-21-2-1-3-22-17/h1-3,8-9H,4-7,10H2