5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidin-2-amine

Systemtic Name: 5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidin-2-amine Openeye Name: 5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidin-2-amine CAS Name: 5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]-2-pyrimidinamine IUPAC Name: 5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidin-2-amine Traditional Name: [4-(2-aminopyrimidin-5-yl)-2-nitro-phenyl]-[2-(trifluoromethyl)benzyl]amine Formula: C18H14F3N5O2 MolecularWeight: 389.33127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H14F3N5O2/c19-18(20,21)14-4-2-1-3-12(14)8-23-15-6-5-11(7-16(15)26(27)28)13-9-24-17(22)25-10-13/h1-7,9-10,23H,8H2,(H2,22,24,25)