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

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)benzyl]amine Formula: C17H19F3N6O2 MolecularWeight: 396.36697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N6O2/c1-24-5-7-25(8-6-24)16-14(26(27)28)15(22-11-23-16)21-10-12-3-2-4-13(9-12)17(18,19)20/h2-4,9,11H,5-8,10H2,1H3,(H,21,22,23)