N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-[5-(dibutylamino)pentyl]piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-[5-(dibutylamino)pentyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-[5-(dibutylamino)pentyl]-4-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-[5-(dibutylamino)pentyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-[5-(dibutylamino)pentyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: 5-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]pentyl-dibutyl-amine Formula: C34H61N9 MolecularWeight: 595.90844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCN(CCCC)CCCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C34H61N9/c1-3-5-20-41(21-6-4-2)22-10-7-11-23-42-24-18-29(19-25-42)37-32-31-33(43(26-36-31)30-12-8-9-13-30)40-34(39-32)38-28-16-14-27(35)15-17-28/h26-30H,3-25,35H2,1-2H3,(H2,37,38,39,40)