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

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[2-(1-phenylmethoxybutyl)piperidin-4-yl]purin-6-amine Openeye Name: N-[2-(1-benzyloxybutyl)-4-piperidyl]-2-chloro-9-cyclopentyl-purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[2-(1-phenylmethoxybutyl)-4-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[2-(1-phenylmethoxybutyl)piperidin-4-yl]purin-6-amine Traditional Name: [2-(1-benzoxybutyl)-4-piperidyl]-(2-chloro-9-cyclopentyl-purin-6-yl)amine Formula: C26H35ClN6O MolecularWeight: 483.0487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClN6O/c1-2-8-22(34-16-18-9-4-3-5-10-18)21-15-19(13-14-28-21)30-24-23-25(32-26(27)31-24)33(17-29-23)20-11-6-7-12-20/h3-5,9-10,17,19-22,28H,2,6-8,11-16H2,1H3,(H,30,31,32)