5-fluoranyl-3-oxidanidyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 5-fluoranyl-3-oxidanidyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium Openeye Name: 5-fluoro-3-oxido-6-(4-pyrimidin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium CAS Name: 5-fluoro-3-oxido-6-[4-(2-pyrimidinyl)-1-piperazinyl]-2,1,3-benzoxadiazol-3-ium IUPAC Name: 5-fluoro-3-oxido-6-(4-pyrimidin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium Traditional Name: 6-fluoro-1-oxido-5-[4-(2-pyrimidyl)piperazino]benzofurazan-1-ium Formula: C14H13FN6O2 MolecularWeight: 316.290423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=NO[N+](=C3C=C2F)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC3=NO[N+](=C3C=C2F)[O-])C4=NC=CC=N4

InChI

InChI=1S/C14H13FN6O2/c15-10-8-13-11(18-23-21(13)22)9-12(10)19-4-6-20(7-5-19)14-16-2-1-3-17-14/h1-3,8-9H,4-7H2