N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(1-methoxybutyl)piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(1-methoxybutyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(1-methoxybutyl)-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(1-methoxybutyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(1-methoxybutyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(1-methoxybutyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C26H44N8O MolecularWeight: 484.68056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OC

Isomeric SMILES

CCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OC

InChI

InChI=1S/C26H44N8O/c1-3-6-22(35-2)21-15-19(13-14-28-21)31-26-32-24(30-18-11-9-17(27)10-12-18)23-25(33-26)34(16-29-23)20-7-4-5-8-20/h16-22,28H,3-15,27H2,1-2H3,(H2,30,31,32,33)