N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-(3-propoxypropyl)piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-(3-propoxypropyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(3-propoxypropyl)-4-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(3-propoxypropyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(3-propoxypropyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[1-(3-propoxypropyl)-4-piperidyl]amino]purin-2-yl]amine Formula: C27H46N8O MolecularWeight: 498.70714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCOCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C27H46N8O/c1-2-17-36-18-5-14-34-15-12-22(13-16-34)30-25-24-26(35(19-29-24)23-6-3-4-7-23)33-27(32-25)31-21-10-8-20(28)9-11-21/h19-23H,2-18,28H2,1H3,(H2,30,31,32,33)