2-chloranyl-9-cyclopentyl-N-[2-(1-phenylmethoxyhexyl)piperidin-4-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[2-(1-phenylmethoxyhexyl)piperidin-4-yl]purin-6-amine Openeye Name: N-[2-(1-benzyloxyhexyl)-4-piperidyl]-2-chloro-9-cyclopentyl-purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[2-(1-phenylmethoxyhexyl)-4-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[2-(1-phenylmethoxyhexyl)piperidin-4-yl]purin-6-amine Traditional Name: [2-(1-benzoxyhexyl)-4-piperidyl]-(2-chloro-9-cyclopentyl-purin-6-yl)amine Formula: C28H39ClN6O MolecularWeight: 511.10186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CC(CCN1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

CCCCCC(C1CC(CCN1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C28H39ClN6O/c1-2-3-5-14-24(36-18-20-10-6-4-7-11-20)23-17-21(15-16-30-23)32-26-25-27(34-28(29)33-26)35(19-31-25)22-12-8-9-13-22/h4,6-7,10-11,19,21-24,30H,2-3,5,8-9,12-18H2,1H3,(H,32,33,34)