N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-[4-(trifluoromethyloxy)phenyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-[4-(trifluoromethyloxy)phenyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-sec-butyl-N6-[4-(trifluoromethoxy)phenyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-butan-2-yl-N6-[4-(trifluoromethoxy)phenyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-butan-2-yl-6-N-[4-(trifluoromethoxy)phenyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-sec-butyl-6-[4-(trifluoromethoxy)anilino]purin-2-yl]amine Formula: C22H28F3N7O MolecularWeight: 463.49923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)OC(F)(F)F)NC4CCC(CC4)N

Isomeric SMILES

CCC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)OC(F)(F)F)NC4CCC(CC4)N

InChI

InChI=1S/C22H28F3N7O/c1-3-13(2)32-12-27-18-19(28-15-8-10-17(11-9-15)33-22(23,24)25)30-21(31-20(18)32)29-16-6-4-14(26)5-7-16/h8-14,16H,3-7,26H2,1-2H3,(H2,28,29,30,31)