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

Systemtic Name: 3-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)purin-6-amine hydrochloride Openeye Name: 3-[(3-benzyloxy-4-methoxy-phenyl)methyl]-8-(1-benzyloxy-1-methyl-ethyl)purin-6-amine hydrochloride CAS Name: 3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-6-purinamine hydrochloride IUPAC Name: 3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)purin-6-amine hydrochloride Traditional Name: [3-(3-benzoxy-4-methoxy-benzyl)-8-(1-benzoxy-1-methyl-ethyl)purin-6-yl]amine hydrochloride Formula: C30H32ClN5O3 MolecularWeight: 546.05978

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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)OCC4=CC=CC=C4)N)OCC5=CC=CC=C5.Cl

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)N)OCC5=CC=CC=C5.Cl

InChI

InChI=1S/C30H31N5O3.ClH/c1-30(2,38-19-22-12-8-5-9-13-22)29-33-26-27(31)32-20-35(28(26)34-29)17-23-14-15-24(36-3)25(16-23)37-18-21-10-6-4-7-11-21;/h4-16,20H,17-19,31H2,1-3H3;1H