[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,6-bis(fluoranyl)benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C17H16F2N4O3 MolecularWeight: 362.330746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H16F2N4O3/c18-12-3-1-4-13(19)15(12)16(25)26-11-14(24)22-7-9-23(10-8-22)17-20-5-2-6-21-17/h1-6H,7-11H2