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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-methoxyethyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-methoxyethyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-methoxyethyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(2-methoxyethyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(2-methoxyethylamino)purin-2-yl]amine dihydrochloride Formula: C19H33Cl2N7O MolecularWeight: 446.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

COCCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C19H31N7O.2ClH/c1-27-11-10-21-17-16-18(26(12-22-16)15-4-2-3-5-15)25-19(24-17)23-14-8-6-13(20)7-9-14;;/h12-15H,2-11,20H2,1H3,(H2,21,23,24,25);2*1H