2-[[(4-azanylcyclohexyl)amino]-(9-cyclopentylpurin-2-yl)amino]cyclohexan-1-ol dihydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=CN=C(N=C32)N(C4CCCCC4O)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=CN=C(N=C32)N(C4CCCCC4O)NC5CCC(CC5)N.Cl.Cl

InChI

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