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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-ethyl-8-(2-phenylmethoxypropan-2-yl)purin-6-amine hydrochloride Openeye Name: 8-(1-benzyloxy-1-methyl-ethyl)-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-N-ethyl-purin-6-amine hydrochloride CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-8-(2-phenylmethoxypropan-2-yl)-6-purinamine hydrochloride IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-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]-ethyl-amine hydrochloride Formula: C30H38ClN5O3 MolecularWeight: 552.10742

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)(C)OCC3=CC=CC=C3)N(C=N1)CC4=CC(=C(C=C4)OC)OC5CCCC5.Cl

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)(C)OCC3=CC=CC=C3)N(C=N1)CC4=CC(=C(C=C4)OC)OC5CCCC5.Cl

InChI

InChI=1S/C30H37N5O3.ClH/c1-5-31-27-26-28(34-29(33-26)30(2,3)37-19-21-11-7-6-8-12-21)35(20-32-27)18-22-15-16-24(36-4)25(17-22)38-23-13-9-10-14-23;/h6-8,11-12,15-17,20,23,31H,5,9-10,13-14,18-19H2,1-4H3;1H