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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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