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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-imidazol-1-ylpropyl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-imidazol-1-ylpropyl)purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[3-(1-imidazolyl)propyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-imidazol-1-ylpropyl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(3-imidazol-1-ylpropylamino)purin-2-yl]amine Formula: C22H33N9 MolecularWeight: 423.55772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCN4C=CN=C4)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCN4C=CN=C4)NC5CCC(CC5)N

InChI

InChI=1S/C22H33N9/c23-16-6-8-17(9-7-16)27-22-28-20(25-10-3-12-30-13-11-24-14-30)19-21(29-22)31(15-26-19)18-4-1-2-5-18/h11,13-18H,1-10,12,23H2,(H2,25,27,28,29)