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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC

Isomeric SMILES

CCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC

InChI

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