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

Systemtic Name: 2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]cyclohexan-1-ol dihydrochloride Openeye Name: 2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]cyclohexanol dihydrochloride CAS Name: 2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-cyclohexanol dihydrochloride IUPAC Name: 2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]cyclohexan-1-ol dihydrochloride Traditional Name: 2-[[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(C1)N2C=NC3=C2N=C(N=C3NC4CCCCC4O)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCCCC4O)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H35N7O.2ClH/c23-14-9-11-15(12-10-14)25-22-27-20(26-17-7-3-4-8-18(17)30)19-21(28-22)29(13-24-19)16-5-1-2-6-16;;/h13-18,30H,1-12,23H2,(H2,25,26,27,28);2*1H