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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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