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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OCC6=CC=CC=C6

Isomeric SMILES

CCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OCC6=CC=CC=C6

InChI

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