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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[1-(3-butoxypropyl)piperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[1-(3-butoxypropyl)-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[1-(3-butoxypropyl)-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[1-(3-butoxypropyl)piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[1-(3-butoxypropyl)-4-piperidyl]amino]-9-cyclopentyl-purin-2-yl]amine Formula: C28H48N8O MolecularWeight: 512.73372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCOCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C28H48N8O/c1-2-3-18-37-19-6-15-35-16-13-23(14-17-35)31-26-25-27(36(20-30-25)24-7-4-5-8-24)34-28(33-26)32-22-11-9-21(29)10-12-22/h20-24H,2-19,29H2,1H3,(H2,31,32,33,34)