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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC6=CC=CC=C6

Isomeric SMILES

CCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC6=CC=CC=C6

InChI

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