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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(pyridin-4-ylmethyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-pyridylmethyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(pyridin-4-ylmethyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(pyridin-4-ylmethyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(4-pyridylmethylamino)purin-2-yl]amine dihydrochloride Formula: C22H32Cl2N8 MolecularWeight: 479.44908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=NC=C4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=NC=C4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H30N8.2ClH/c23-16-5-7-17(8-6-16)27-22-28-20(25-13-15-9-11-24-12-10-15)19-21(29-22)30(14-26-19)18-3-1-2-4-18;;/h9-12,14,16-18H,1-8,13,23H2,(H2,25,27,28,29);2*1H