N2-(4-azanylcyclohexyl)-N6-[4-(trifluoromethyloxy)phenyl]-7H-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[4-(trifluoromethyloxy)phenyl]-7H-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[4-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[4-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[4-(trifluoromethoxy)anilino]-7H-purin-2-yl]amine Formula: C18H20F3N7O MolecularWeight: 407.39291

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)OC(F)(F)F)NC=N3

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)OC(F)(F)F)NC=N3

InChI

InChI=1S/C18H20F3N7O/c19-18(20,21)29-13-7-5-11(6-8-13)25-16-14-15(24-9-23-14)27-17(28-16)26-12-3-1-10(22)2-4-12/h5-10,12H,1-4,22H2,(H3,23,24,25,26,27,28)