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

Systemtic Name: 5-fluoranyl-N2,N4-bis[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: N2,N4-bis[4-benzyloxy-3-(trifluoromethyl)phenyl]-5-fluoro-pyrimidine-2,4-diamine CAS Name: 5-fluoro-N2,N4-bis[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-fluoro-2-N,4-N-bis[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: [2-[4-benzoxy-3-(trifluoromethyl)anilino]-5-fluoro-pyrimidin-4-yl]-[4-benzoxy-3-(trifluoromethyl)phenyl]amine Formula: C32H23F7N4O2 MolecularWeight: 628.539442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C32H23F7N4O2/c33-26-17-40-30(42-23-12-14-28(25(16-23)32(37,38)39)45-19-21-9-5-2-6-10-21)43-29(26)41-22-11-13-27(24(15-22)31(34,35)36)44-18-20-7-3-1-4-8-20/h1-17H,18-19H2,(H2,40,41,42,43)