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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

CCCCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl)OCC5=CC=CC=C5

InChI

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