N8-(4-azanylcyclohexyl)-N6-[4-(1-butan-2-yloxypropyl)piperidin-1-yl]-9-cyclopentyl-purine-6,8-diamine

Systemtic Name: N8-(4-azanylcyclohexyl)-N6-[4-(1-butan-2-yloxypropyl)piperidin-1-yl]-9-cyclopentyl-purine-6,8-diamine Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-sec-butoxypropyl)-1-piperidyl]purine-6,8-diamine CAS Name: N8-(4-aminocyclohexyl)-N6-[4-(1-butan-2-yloxypropyl)-1-piperidinyl]-9-cyclopentylpurine-6,8-diamine IUPAC Name: 8-N-(4-aminocyclohexyl)-6-N-[4-(1-butan-2-yloxypropyl)piperidin-1-yl]-9-cyclopentylpurine-6,8-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(1-sec-butoxypropyl)piperidino]amino]purin-8-yl]amine Formula: C28H48N8O MolecularWeight: 512.73372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(CC)C1CCN(CC1)NC2=NC=NC3=C2N=C(N3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCC(C)OC(CC)C1CCN(CC1)NC2=NC=NC3=C2N=C(N3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C28H48N8O/c1-4-19(3)37-24(5-2)20-14-16-35(17-15-20)34-26-25-27(31-18-30-26)36(23-8-6-7-9-23)28(33-25)32-22-12-10-21(29)11-13-22/h18-24H,4-17,29H2,1-3H3,(H,32,33)(H,30,31,34)