9-cyclopropyl-8-pyridin-4-yl-N-[3-(trifluoromethyloxy)phenyl]purin-2-amine

Systemtic Name: 9-cyclopropyl-8-pyridin-4-yl-N-[3-(trifluoromethyloxy)phenyl]purin-2-amine Openeye Name: 9-cyclopropyl-8-(4-pyridyl)-N-[3-(trifluoromethoxy)phenyl]purin-2-amine CAS Name: 9-cyclopropyl-8-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]-2-purinamine IUPAC Name: 9-cyclopropyl-8-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]purin-2-amine Traditional Name: [9-cyclopropyl-8-(4-pyridyl)purin-2-yl]-[3-(trifluoromethoxy)phenyl]amine Formula: C20H15F3N6O MolecularWeight: 412.36791

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CN=C(N=C32)NC4=CC(=CC=C4)OC(F)(F)F)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NC3=CN=C(N=C32)NC4=CC(=CC=C4)OC(F)(F)F)C5=CC=NC=C5

InChI

InChI=1S/C20H15F3N6O/c21-20(22,23)30-15-3-1-2-13(10-15)26-19-25-11-16-18(28-19)29(14-4-5-14)17(27-16)12-6-8-24-9-7-12/h1-3,6-11,14H,4-5H2,(H,25,26,28)