6-[2-(3-imidazol-1-ylpropylamino)pyridin-4-yl]-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine

Systemtic Name: 6-[2-(3-imidazol-1-ylpropylamino)pyridin-4-yl]-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 6-[2-(3-imidazol-1-ylpropylamino)-4-pyridyl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 6-[2-[3-(1-imidazolyl)propylamino]-4-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 6-[2-(3-imidazol-1-ylpropylamino)pyridin-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]-2-pyridyl]amine Formula: C22H20F3N7O MolecularWeight: 455.43571

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC(=C2)C3=CC(=NC=C3)NCCCN4C=CN=C4)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC(=C2)C3=CC(=NC=C3)NCCCN4C=CN=C4)OC(F)(F)F

InChI

InChI=1S/C22H20F3N7O/c23-22(24,25)33-18-4-2-17(3-5-18)31-21-13-19(29-14-30-21)16-6-8-28-20(12-16)27-7-1-10-32-11-9-26-15-32/h2-6,8-9,11-15H,1,7,10H2,(H,27,28)(H,29,30,31)