N2-(4-azanylcyclohexyl)-9-ethyl-N6-[3-(trifluoromethyl)phenyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-ethyl-N6-[3-(trifluoromethyl)phenyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-ethyl-N6-[3-(trifluoromethyl)phenyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-ethyl-N6-[3-(trifluoromethyl)phenyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-ethyl-6-N-[3-(trifluoromethyl)phenyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-ethyl-6-[3-(trifluoromethyl)anilino]purin-2-yl]amine Formula: C20H24F3N7 MolecularWeight: 419.44667

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C(F)(F)F)NC4CCC(CC4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C(F)(F)F)NC4CCC(CC4)N

InChI

InChI=1S/C20H24F3N7/c1-2-30-11-25-16-17(26-15-5-3-4-12(10-15)20(21,22)23)28-19(29-18(16)30)27-14-8-6-13(24)7-9-14/h3-5,10-11,13-14H,2,6-9,24H2,1H3,(H2,26,27,28,29)