5-nitro-N,N-bis[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

Systemtic Name: 5-nitro-N,N-bis[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine Openeye Name: 5-nitro-N,N-bis[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine CAS Name: 5-nitro-N,N-bis[[4-(trifluoromethyl)phenyl]methyl]-2-pyrimidinamine IUPAC Name: 5-nitro-N,N-bis[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine Traditional Name: (5-nitropyrimidin-2-yl)-bis[4-(trifluoromethyl)benzyl]amine Formula: C20H14F6N4O2 MolecularWeight: 456.341179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC2=CC=C(C=C2)C(F)(F)F)C3=NC=C(C=N3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN(CC2=CC=C(C=C2)C(F)(F)F)C3=NC=C(C=N3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H14F6N4O2/c21-19(22,23)15-5-1-13(2-6-15)11-29(18-27-9-17(10-28-18)30(31)32)12-14-3-7-16(8-4-14)20(24,25)26/h1-10H,11-12H2