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

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[4-(1-phenylmethoxypropyl)piperidin-1-yl]purin-6-amine Openeye Name: N-[4-(1-benzyloxypropyl)-1-piperidyl]-2-chloro-9-cyclopentyl-purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[4-(1-phenylmethoxypropyl)-1-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[4-(1-phenylmethoxypropyl)piperidin-1-yl]purin-6-amine Traditional Name: [4-(1-benzoxypropyl)piperidino]-(2-chloro-9-cyclopentyl-purin-6-yl)amine Formula: C25H33ClN6O MolecularWeight: 469.02212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN6O/c1-2-21(33-16-18-8-4-3-5-9-18)19-12-14-31(15-13-19)30-23-22-24(29-25(26)28-23)32(17-27-22)20-10-6-7-11-20/h3-5,8-9,17,19-21H,2,6-7,10-16H2,1H3,(H,28,29,30)