6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)-N5-[3-(trifluoromethyloxy)phenyl]isoquinoline-1,5-diamine

Systemtic Name: 6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)-N5-[3-(trifluoromethyloxy)phenyl]isoquinoline-1,5-diamine Openeye Name: 6-methyl-N5-(3-pyrimidin-4-yl-2-pyridyl)-N5-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine CAS Name: 6-methyl-N5-[3-(4-pyrimidinyl)-2-pyridinyl]-N5-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine IUPAC Name: 6-methyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)-5-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine Traditional Name: (1-amino-6-methyl-5-isoquinolyl)-[3-(4-pyrimidyl)-2-pyridyl]-[3-(trifluoromethoxy)phenyl]amine Formula: C26H19F3N6O MolecularWeight: 488.46387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)N)N(C3=CC(=CC=C3)OC(F)(F)F)C4=C(C=CC=N4)C5=NC=NC=C5

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)N)N(C3=CC(=CC=C3)OC(F)(F)F)C4=C(C=CC=N4)C5=NC=NC=C5

InChI

InChI=1S/C26H19F3N6O/c1-16-7-8-20-19(9-13-32-24(20)30)23(16)35(17-4-2-5-18(14-17)36-26(27,28)29)25-21(6-3-11-33-25)22-10-12-31-15-34-22/h2-15H,1H3,(H2,30,32)