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

Systemtic Name: N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [4-fluoro-3-(trifluoromethyl)benzyl]-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C21H19F4N7O2 MolecularWeight: 477.414873

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC(=C(C=C4)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC(=C(C=C4)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F4N7O2/c22-16-5-4-14(11-15(16)21(23,24)25)12-27-19-18(32(33)34)20(29-13-28-19)31-9-7-30(8-10-31)17-3-1-2-6-26-17/h1-6,11,13H,7-10,12H2,(H,27,28,29)