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

Systemtic Name: N-[[2,3-bis(fluoranyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(2,3-difluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(2,3-difluorophenyl)methyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(2,3-difluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2,3-difluorobenzyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H18F2N6O2 MolecularWeight: 364.349926

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=C(C(=CC=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=C(C(=CC=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18F2N6O2/c1-22-5-7-23(8-6-22)16-14(24(25)26)15(20-10-21-16)19-9-11-3-2-4-12(17)13(11)18/h2-4,10H,5-9H2,1H3,(H,19,20,21)