1-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]cyclohexan-1-ol dihydrochloride

Systemtic Name: 1-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]cyclohexan-1-ol dihydrochloride Openeye Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]cyclohexanol dihydrochloride CAS Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-cyclohexanol dihydrochloride IUPAC Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]cyclohexan-1-ol dihydrochloride Traditional Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]cyclohexanol dihydrochloride Formula: C22H37Cl2N7O MolecularWeight: 486.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)O.Cl.Cl

Isomeric SMILES

C1CCC(CC1)(NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)O.Cl.Cl

InChI

InChI=1S/C22H35N7O.2ClH/c23-15-8-10-16(11-9-15)25-21-26-19(28-22(30)12-4-1-5-13-22)18-20(27-21)29(14-24-18)17-6-2-3-7-17;;/h14-17,30H,1-13,23H2,(H2,25,26,27,28);2*1H