N-[3,4-bis(fluoranyl)phenyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3,4-difluorophenyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(3,4-difluorophenyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(3,4-difluorophenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (3,4-difluorophenyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C19H17F2N7O2 MolecularWeight: 413.380786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F2N7O2/c20-14-5-4-13(11-15(14)21)25-18-17(28(29)30)19(24-12-23-18)27-9-7-26(8-10-27)16-3-1-2-6-22-16/h1-6,11-12H,7-10H2,(H,23,24,25)