N-methyl-6-[6-methyl-1-[[5-(trifluoromethyl)pyridin-3-yl]amino]isoquinolin-5-yl]quinazolin-2-amine

Systemtic Name: N-methyl-6-[6-methyl-1-[[5-(trifluoromethyl)pyridin-3-yl]amino]isoquinolin-5-yl]quinazolin-2-amine Openeye Name: N-methyl-6-[6-methyl-1-[[5-(trifluoromethyl)-3-pyridyl]amino]-5-isoquinolyl]quinazolin-2-amine CAS Name: N-methyl-6-[6-methyl-1-[[5-(trifluoromethyl)-3-pyridinyl]amino]-5-isoquinolinyl]-2-quinazolinamine IUPAC Name: N-methyl-6-[6-methyl-1-[[5-(trifluoromethyl)pyridin-3-yl]amino]isoquinolin-5-yl]quinazolin-2-amine Traditional Name: methyl-[6-[6-methyl-1-[[5-(trifluoromethyl)-3-pyridyl]amino]-5-isoquinolyl]quinazolin-2-yl]amine Formula: C25H19F3N6 MolecularWeight: 460.45377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CN=CC(=C3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)NC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CN=CC(=C3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)NC

InChI

InChI=1S/C25H19F3N6/c1-14-3-5-20-19(22(14)15-4-6-21-16(9-15)11-32-24(29-2)34-21)7-8-31-23(20)33-18-10-17(12-30-13-18)25(26,27)28/h3-13H,1-2H3,(H,31,33)(H,29,32,34)