6-ethyl-5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[3-nitro-4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-[2-(trifluoromethyl)benzyl]amine Formula: C20H19F3N6O2 MolecularWeight: 432.39907

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N6O2/c1-2-14-17(18(24)28-19(25)27-14)11-7-8-15(16(9-11)29(30)31)26-10-12-5-3-4-6-13(12)20(21,22)23/h3-9,26H,2,10H2,1H3,(H4,24,25,27,28)