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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-(6-propoxyhexyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(6-propoxyhexyl)-4-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(6-propoxyhexyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(6-propoxyhexyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[1-(6-propoxyhexyl)-4-piperidyl]amino]purin-2-yl]amine Formula: C30H52N8O MolecularWeight: 540.78688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCOCCCCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C30H52N8O/c1-2-20-39-21-8-4-3-7-17-37-18-15-25(16-19-37)33-28-27-29(38(22-32-27)26-9-5-6-10-26)36-30(35-28)34-24-13-11-23(31)12-14-24/h22-26H,2-21,31H2,1H3,(H2,33,34,35,36)