2-(4-azanylcyclohexyl)oxy-9-cyclopentyl-N-(phenylmethyl)purin-6-amine dihydrochloride

Systemtic Name: 2-(4-azanylcyclohexyl)oxy-9-cyclopentyl-N-(phenylmethyl)purin-6-amine dihydrochloride Openeye Name: 2-(4-aminocyclohexoxy)-N-benzyl-9-cyclopentyl-purin-6-amine dihydrochloride CAS Name: 2-(4-aminocyclohexyl)oxy-9-cyclopentyl-N-(phenylmethyl)-6-purinamine dihydrochloride IUPAC Name: 2-(4-aminocyclohexyl)oxy-N-benzyl-9-cyclopentylpurin-6-amine dihydrochloride Traditional Name: [2-(4-aminocyclohexoxy)-9-cyclopentyl-purin-6-yl]-benzyl-amine dihydrochloride Formula: C23H32Cl2N6O MolecularWeight: 479.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)OC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)OC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C23H30N6O.2ClH/c24-17-10-12-19(13-11-17)30-23-27-21(25-14-16-6-2-1-3-7-16)20-22(28-23)29(15-26-20)18-8-4-5-9-18;;/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H,25,27,28);2*1H