3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)purin-6-amine hydrochloride

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)purin-6-amine hydrochloride Openeye Name: 8-(1-benzyloxy-1-methyl-ethyl)-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-6-amine hydrochloride CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-6-purinamine hydrochloride IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)purin-6-amine hydrochloride Traditional Name: [8-(1-benzoxy-1-methyl-ethyl)-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-6-yl]amine hydrochloride Formula: C28H34ClN5O3 MolecularWeight: 524.05426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC=CC=C5.Cl

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC=CC=C5.Cl

InChI

InChI=1S/C28H33N5O3.ClH/c1-28(2,35-17-19-9-5-4-6-10-19)27-31-24-25(29)30-18-33(26(24)32-27)16-20-13-14-22(34-3)23(15-20)36-21-11-7-8-12-21;/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17,29H2,1-3H3;1H