N2-(4-azanylcyclohexyl)-9-pentan-3-yl-N6-[4-(trifluoromethyloxy)phenyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-pentan-3-yl-N6-[4-(trifluoromethyloxy)phenyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-(1-ethylpropyl)-N6-[4-(trifluoromethoxy)phenyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-pentan-3-yl-N6-[4-(trifluoromethoxy)phenyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-pentan-3-yl-6-N-[4-(trifluoromethoxy)phenyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-(1-ethylpropyl)-6-[4-(trifluoromethoxy)anilino]purin-2-yl]amine Formula: C23H30F3N7O MolecularWeight: 477.52581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30F3N7O/c1-3-17(4-2)33-13-28-19-20(29-15-9-11-18(12-10-15)34-23(24,25)26)31-22(32-21(19)33)30-16-7-5-14(27)6-8-16/h9-14,16-17H,3-8,27H2,1-2H3,(H2,29,30,31,32)