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

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-1-[2-(2-methoxyethoxy)ethyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-iodophenyl)methyl]-1-[2-(2-methoxyethoxy)ethyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2-iodophenyl)methyl]-1-[2-(2-methoxyethoxy)ethyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-iodophenyl)methyl]-1-[2-(2-methoxyethoxy)ethyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-iodobenzyl)-1-[2-(2-methoxyethoxy)ethyl]-3-methyl-8-piperazino-xanthine Formula: C22H29IN6O4 MolecularWeight: 568.40793

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCOCCOC)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCOCCOC)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4I

InChI

InChI=1S/C22H29IN6O4/c1-26-19-18(20(30)28(22(26)31)11-12-33-14-13-32-2)29(15-16-5-3-4-6-17(16)23)21(25-19)27-9-7-24-8-10-27/h3-6,24H,7-15H2,1-2H3