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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-morpholin-4-ylphenyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-morpholinophenyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(4-morpholinyl)phenyl]purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(4-morpholinoanilino)purin-2-yl]amine dihydrochloride Formula: C26H38Cl2N8O MolecularWeight: 549.53892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)NC6CCC(CC6)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)NC6CCC(CC6)N.Cl.Cl

InChI

InChI=1S/C26H36N8O.2ClH/c27-18-5-7-20(8-6-18)30-26-31-24(23-25(32-26)34(17-28-23)22-3-1-2-4-22)29-19-9-11-21(12-10-19)33-13-15-35-16-14-33;;/h9-12,17-18,20,22H,1-8,13-16,27H2,(H2,29,30,31,32);2*1H