1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-7-isobutyl-purine-2,6-dione CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(4,5-dimethoxy-2-methyl-benzyl)-7-isobutyl-xanthine Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H30N4O4/c1-17(2)13-28-16-27-24-23(28)25(31)30(26(32)29(24)14-19-9-7-6-8-10-19)15-20-12-22(34-5)21(33-4)11-18(20)3/h6-12,16-17H,13-15H2,1-5H3