3-[(3,4-dimethoxyphenyl)methyl]-8-(1-phenylmethoxypropan-2-yl)purin-6-amine

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-(1-phenylmethoxypropan-2-yl)purin-6-amine Openeye Name: 8-(2-benzyloxy-1-methyl-ethyl)-3-[(3,4-dimethoxyphenyl)methyl]purin-6-amine CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-(1-phenylmethoxypropan-2-yl)-6-purinamine IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-(1-phenylmethoxypropan-2-yl)purin-6-amine Traditional Name: [8-(2-benzoxy-1-methyl-ethyl)-3-veratryl-purin-6-yl]amine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CC(COCC1=CC=CC=C1)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C24H27N5O3/c1-16(13-32-14-17-7-5-4-6-8-17)23-27-21-22(25)26-15-29(24(21)28-23)12-18-9-10-19(30-2)20(11-18)31-3/h4-11,15-16H,12-14,25H2,1-3H3