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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3,4-difluorophenyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3,4-difluorophenyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H16F2N6O2 MolecularWeight: 350.323346

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H16F2N6O2/c1-21-4-6-22(7-5-21)15-13(23(24)25)14(18-9-19-15)20-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3,(H,18,19,20)