1-[(3,5-dimethoxyphenyl)methyl]-7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1-[(3,5-dimethoxyphenyl)methyl]-7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[(3,5-dimethoxyphenyl)methyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[(3,5-dimethoxyphenyl)methyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[(3,5-dimethoxyphenyl)methyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(3,5-dimethoxybenzyl)-7-(2-iodobenzyl)-3-methyl-8-piperazino-xanthine Formula: C26H29IN6O4 MolecularWeight: 616.45073

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC(=C3)OC)OC)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC(=C3)OC)OC)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C26H29IN6O4/c1-30-23-22(24(34)33(26(30)35)15-17-12-19(36-2)14-20(13-17)37-3)32(16-18-6-4-5-7-21(18)27)25(29-23)31-10-8-28-9-11-31/h4-7,12-14,28H,8-11,15-16H2,1-3H3