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

Systemtic Name: N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [4-fluoro-3-(trifluoromethyl)benzyl]-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C17H17F4N5O2 MolecularWeight: 399.342793

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C=C3)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C=C3)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F4N5O2/c18-13-5-4-11(8-12(13)17(19,20)21)9-22-15-14(26(27)28)16(24-10-23-15)25-6-2-1-3-7-25/h4-5,8,10H,1-3,6-7,9H2,(H,22,23,24)