N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[3-(1H-imidazol-2-yl)propyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[3-(1H-imidazol-2-yl)propyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[3-(1H-imidazol-2-yl)propyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[3-(1H-imidazol-2-yl)propyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[3-(1H-imidazol-2-yl)propyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[3-(1H-imidazol-2-yl)propylamino]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=C3NCCCC4=NC=CN4)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCC4=NC=CN4)NC5CCC(CC5)N

InChI

InChI=1S/C22H33N9/c23-15-7-9-16(10-8-15)28-22-29-20(26-11-3-6-18-24-12-13-25-18)19-21(30-22)31(14-27-19)17-4-1-2-5-17/h12-17H,1-11,23H2,(H,24,25)(H2,26,28,29,30)