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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(1-phenylmethoxypropyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[4-(1-benzyloxypropyl)-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(1-phenylmethoxypropyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-(1-phenylmethoxypropyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[4-(1-benzoxypropyl)piperidino]amino]-9-cyclopentyl-purin-6-yl]amine Formula: C31H46N8O MolecularWeight: 546.74994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC6=CC=CC=C6

Isomeric SMILES

CCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H46N8O/c1-2-27(40-20-22-8-4-3-5-9-22)23-16-18-38(19-17-23)37-31-35-29(34-25-14-12-24(32)13-15-25)28-30(36-31)39(21-33-28)26-10-6-7-11-26/h3-5,8-9,21,23-27H,2,6-7,10-20,32H2,1H3,(H2,34,35,36,37)