N4-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]-N2-(2-phenoxyethyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]-N2-(2-phenoxyethyl)pyrimidine-2,4-diamine Openeye Name: N4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N2-(2-phenoxyethyl)pyrimidine-2,4-diamine CAS Name: N4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N2-(2-phenoxyethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-N-(2-phenoxyethyl)pyrimidine-2,4-diamine Traditional Name: [3-fluoro-5-(trifluoromethyl)benzyl]-[2-(2-phenoxyethylamino)pyrimidin-4-yl]amine Formula: C20H18F4N4O MolecularWeight: 406.376733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC2=NC=CC(=N2)NCC3=CC(=CC(=C3)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OCCNC2=NC=CC(=N2)NCC3=CC(=CC(=C3)F)C(F)(F)F

InChI

InChI=1S/C20H18F4N4O/c21-16-11-14(10-15(12-16)20(22,23)24)13-27-18-6-7-25-19(28-18)26-8-9-29-17-4-2-1-3-5-17/h1-7,10-12H,8-9,13H2,(H2,25,26,27,28)