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

Systemtic Name: 5-nitro-6-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(1-piperidyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(1-piperidinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-[3-(trifluoromethyl)benzyl]amine Formula: C17H18F3N5O2 MolecularWeight: 381.35233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3N5O2/c18-17(19,20)13-6-4-5-12(9-13)10-21-15-14(25(26)27)16(23-11-22-15)24-7-2-1-3-8-24/h4-6,9,11H,1-3,7-8,10H2,(H,21,22,23)