N4-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-N2-phenethyl-pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: N4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: N4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-fluoro-3-(trifluoromethyl)benzyl]-[2-(phenethylamino)pyrimidin-4-yl]amine Formula: C20H18F4N4 MolecularWeight: 390.377333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=CC(=N2)NCC3=CC(=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=CC(=N2)NCC3=CC(=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C20H18F4N4/c21-17-7-6-15(12-16(17)20(22,23)24)13-27-18-9-11-26-19(28-18)25-10-8-14-4-2-1-3-5-14/h1-7,9,11-12H,8,10,13H2,(H2,25,26,27,28)