N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)pyridin-2-yl]pteridin-4-amine

Systemtic Name: N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)pyridin-2-yl]pteridin-4-amine Openeye Name: N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridyl]pteridin-4-amine CAS Name: N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-pteridinamine IUPAC Name: N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)pyridin-2-yl]pteridin-4-amine Traditional Name: (2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-[7-[3-(trifluoromethyl)-2-pyridyl]pteridin-4-yl]amine Formula: C22H18F3N7 MolecularWeight: 437.42043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)NC3=NC=NC4=NC(=CN=C43)C5=C(C=CC=N5)C(F)(F)F

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)NC3=NC=NC4=NC(=CN=C43)C5=C(C=CC=N5)C(F)(F)F

InChI

InChI=1S/C22H18F3N7/c1-32-8-6-13-4-5-15(9-14(13)11-32)30-20-19-21(29-12-28-20)31-17(10-27-19)18-16(22(23,24)25)3-2-7-26-18/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,28,29,30,31)