N2-(4-azanylcyclohexyl)-N6-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-(1H-benzimidazol-2-ylmethyl)-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-(1H-benzimidazol-2-ylmethylamino)-9-cyclopentyl-purin-2-yl]amine Formula: C24H31N9 MolecularWeight: 445.56324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=NC5=CC=CC=C5N4)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=NC5=CC=CC=C5N4)NC6CCC(CC6)N

InChI

InChI=1S/C24H31N9/c25-15-9-11-16(12-10-15)28-24-31-22(26-13-20-29-18-7-3-4-8-19(18)30-20)21-23(32-24)33(14-27-21)17-5-1-2-6-17/h3-4,7-8,14-17H,1-2,5-6,9-13,25H2,(H,29,30)(H2,26,28,31,32)