N2-(4-azanylcyclohexyl)-N6-[3,5-bis(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[3,5-bis(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[3,5-bis(trifluoromethyl)phenyl]-9-ethyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[3,5-bis(trifluoromethyl)phenyl]-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[3,5-bis(trifluoromethyl)phenyl]-9-ethylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[3,5-bis(trifluoromethyl)anilino]-9-ethyl-purin-2-yl]amine Formula: C21H23F6N7 MolecularWeight: 487.444639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F6N7/c1-2-34-10-29-16-17(32-19(33-18(16)34)31-14-5-3-13(28)4-6-14)30-15-8-11(20(22,23)24)7-12(9-15)21(25,26)27/h7-10,13-14H,2-6,28H2,1H3,(H2,30,31,32,33)