6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-N4-isoquinolin-5-yl-2-methyl-pyrimidine-4,5-diamine

Systemtic Name: 6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-N4-isoquinolin-5-yl-2-methyl-pyrimidine-4,5-diamine Openeye Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-N4-(5-isoquinolyl)-2-methyl-pyrimidine-4,5-diamine CAS Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-N4-(5-isoquinolinyl)-2-methylpyrimidine-4,5-diamine IUPAC Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-isoquinolin-5-yl-2-methylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-pyrimidin-4-yl]-(5-isoquinolyl)amine Formula: C21H15F4N5 MolecularWeight: 413.370913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)NC2=CC=CC3=C2C=CN=C3)N)C4=C(C=C(C=C4)C(F)(F)F)F

Isomeric SMILES

CC1=NC(=C(C(=N1)NC2=CC=CC3=C2C=CN=C3)N)C4=C(C=C(C=C4)C(F)(F)F)F

InChI

InChI=1S/C21H15F4N5/c1-11-28-19(15-6-5-13(9-16(15)22)21(23,24)25)18(26)20(29-11)30-17-4-2-3-12-10-27-8-7-14(12)17/h2-10H,26H2,1H3,(H,28,29,30)