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

Systemtic Name: N2-(2-azanylcyclohexyl)-N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine Openeye Name: N2-(2-aminocyclohexyl)-N6-[4-chloro-3-(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine CAS Name: N2-(2-aminocyclohexyl)-N6-[4-chloro-3-(trifluoromethyl)phenyl]-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminocyclohexyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]-9-ethylpurine-2,6-diamine Traditional Name: (2-aminocyclohexyl)-[6-[4-chloro-3-(trifluoromethyl)anilino]-9-ethyl-purin-2-yl]amine Formula: C20H23ClF3N7 MolecularWeight: 453.89173

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=C(C=C3)Cl)C(F)(F)F)NC4CCCCC4N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=C(C=C3)Cl)C(F)(F)F)NC4CCCCC4N

InChI

InChI=1S/C20H23ClF3N7/c1-2-31-10-26-16-17(27-11-7-8-13(21)12(9-11)20(22,23)24)29-19(30-18(16)31)28-15-6-4-3-5-14(15)25/h7-10,14-15H,2-6,25H2,1H3,(H2,27,28,29,30)