N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-morpholin-4-ylethyl)purine-6,8-diamine trihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-morpholin-4-ylethyl)purine-6,8-diamine trihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-morpholinoethyl)purine-6,8-diamine trihydrochloride CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(4-morpholinyl)ethyl]purine-6,8-diamine trihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(2-morpholin-4-ylethyl)purine-6,8-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(2-morpholinoethylamino)purin-8-yl]amine trihydrochloride Formula: C22H39Cl3N8O MolecularWeight: 537.95706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NCCN4CCOCC4)N=C2NC5CCC(CC5)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCN4CCOCC4)N=C2NC5CCC(CC5)N.Cl.Cl.Cl

InChI

InChI=1S/C22H36N8O.3ClH/c23-16-5-7-17(8-6-16)27-22-28-19-20(24-9-10-29-11-13-31-14-12-29)25-15-26-21(19)30(22)18-3-1-2-4-18;;;/h15-18H,1-14,23H2,(H,27,28)(H,24,25,26);3*1H