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

Systemtic Name: N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [4-fluoro-3-(trifluoromethyl)benzyl]-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H18F4N6O2 MolecularWeight: 414.357433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F4N6O2/c1-25-4-6-26(7-5-25)16-14(27(28)29)15(23-10-24-16)22-9-11-2-3-13(18)12(8-11)17(19,20)21/h2-3,8,10H,4-7,9H2,1H3,(H,22,23,24)