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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CC)C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCOC(CC)C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C28H48N8O/c1-3-5-18-37-24(4-2)20-14-16-35(17-15-20)34-26-25-27(36(19-30-25)23-8-6-7-9-23)33-28(32-26)31-22-12-10-21(29)11-13-22/h19-24H,3-18,29H2,1-2H3,(H2,31,32,33,34)