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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OC

Isomeric SMILES

CCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OC

InChI

InChI=1S/C26H44N8O/c1-3-6-22(35-2)18-13-15-33(16-14-18)32-26-30-24(29-20-11-9-19(27)10-12-20)23-25(31-26)34(17-28-23)21-7-4-5-8-21/h17-22H,3-16,27H2,1-2H3,(H2,29,30,31,32)