N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-methoxypropyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-methoxypropyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-methoxypropyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-methoxypropyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-methoxypropyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(3-methoxypropylamino)purin-2-yl]amine dihydrochloride Formula: C20H35Cl2N7O MolecularWeight: 460.4442

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

COCCCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C20H33N7O.2ClH/c1-28-12-4-11-22-18-17-19(27(13-23-17)16-5-2-3-6-16)26-20(25-18)24-15-9-7-14(21)8-10-15;;/h13-16H,2-12,21H2,1H3,(H2,22,24,25,26);2*1H