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

Systemtic Name: N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-[4-fluoro-3-(trifluoromethyl)benzyl]amine Formula: C22H19F5N6O2 MolecularWeight: 494.417276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCC4=CC(=C(C=C4)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCC4=CC(=C(C=C4)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H19F5N6O2/c23-16-6-5-14(11-15(16)22(25,26)27)12-28-20-19(33(34)35)21(30-13-29-20)32-9-7-31(8-10-32)18-4-2-1-3-17(18)24/h1-6,11,13H,7-10,12H2,(H,28,29,30)