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

Systemtic Name: N5-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Openeye Name: N5-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-N5-(3-pyrimidin-4-yl-2-pyridyl)isoquinoline-1,5-diamine CAS Name: N5-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-N5-[3-(4-pyrimidinyl)-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 5-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Traditional Name: (1-amino-6-methyl-5-isoquinolyl)-[4-methoxy-3-(trifluoromethyl)phenyl]-[3-(4-pyrimidyl)-2-pyridyl]amine Formula: C27H21F3N6O MolecularWeight: 502.49045

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H21F3N6O/c1-16-5-7-19-18(9-13-33-25(19)31)24(16)36(17-6-8-23(37-2)21(14-17)27(28,29)30)26-20(4-3-11-34-26)22-10-12-32-15-35-22/h3-15H,1-2H3,(H2,31,33)