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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-methoxybutyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-methoxybutyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-methoxybutyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(4-methoxybutyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(4-methoxybutylamino)purin-2-yl]amine dihydrochloride Formula: C21H37Cl2N7O MolecularWeight: 474.47078

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

COCCCCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C21H35N7O.2ClH/c1-29-13-5-4-12-23-19-18-20(28(14-24-18)17-6-2-3-7-17)27-21(26-19)25-16-10-8-15(22)9-11-16;;/h14-17H,2-13,22H2,1H3,(H2,23,25,26,27);2*1H