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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(1-phenylmethoxybutyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[2-(1-benzyloxybutyl)-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(1-phenylmethoxybutyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(1-phenylmethoxybutyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[2-(1-benzoxybutyl)-4-piperidyl]amino]-9-cyclopentyl-purin-6-yl]amine Formula: C32H48N8O MolecularWeight: 560.77652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC6=CC=CC=C6

Isomeric SMILES

CCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC6=CC=CC=C6

InChI

InChI=1S/C32H48N8O/c1-2-8-28(41-20-22-9-4-3-5-10-22)27-19-25(17-18-34-27)37-32-38-30(36-24-15-13-23(33)14-16-24)29-31(39-32)40(21-35-29)26-11-6-7-12-26/h3-5,9-10,21,23-28,34H,2,6-8,11-20,33H2,1H3,(H2,36,37,38,39)