N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-morpholin-4-ylpropyl)purine-6,8-diamine trihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-morpholin-4-ylpropyl)purine-6,8-diamine trihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-morpholinopropyl)purine-6,8-diamine trihydrochloride CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[3-(4-morpholinyl)propyl]purine-6,8-diamine trihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-morpholin-4-ylpropyl)purine-6,8-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(3-morpholinopropylamino)purin-8-yl]amine trihydrochloride Formula: C23H41Cl3N8O MolecularWeight: 551.98364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NCCCN4CCOCC4)N=C2NC5CCC(CC5)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCCN4CCOCC4)N=C2NC5CCC(CC5)N.Cl.Cl.Cl

InChI

InChI=1S/C23H38N8O.3ClH/c24-17-6-8-18(9-7-17)28-23-29-20-21(25-10-3-11-30-12-14-32-15-13-30)26-16-27-22(20)31(23)19-4-1-2-5-19;;;/h16-19H,1-15,24H2,(H,28,29)(H,25,26,27);3*1H