N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(oxan-2-ylmethyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(oxan-2-ylmethyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(tetrahydropyran-2-ylmethyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-oxanylmethyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(oxan-2-ylmethyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(tetrahydropyran-2-ylmethylamino)purin-2-yl]amine dihydrochloride Formula: C22H37Cl2N7O MolecularWeight: 486.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4CCCCO4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4CCCCO4)NC5CCC(CC5)N.Cl.Cl

InChI

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