N2-(4-azanylcyclohexyl)-N6-(3-imidazol-1-ylpropyl)-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(3-imidazol-1-ylpropyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-(3-imidazol-1-ylpropyl)-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[3-(1-imidazolyl)propyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(3-imidazol-1-ylpropyl)-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-(3-imidazol-1-ylpropylamino)-9-isopropyl-purin-2-yl]amine Formula: C20H31N9 MolecularWeight: 397.52044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCCN3C=CN=C3)NC4CCC(CC4)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCCN3C=CN=C3)NC4CCC(CC4)N

InChI

InChI=1S/C20H31N9/c1-14(2)29-13-24-17-18(23-8-3-10-28-11-9-22-12-28)26-20(27-19(17)29)25-16-6-4-15(21)5-7-16/h9,11-16H,3-8,10,21H2,1-2H3,(H2,23,25,26,27)