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

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-3-methyl-1-(2-phenylmethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(2-benzyloxyethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2-iodophenyl)methyl]-3-methyl-1-(2-phenylmethoxyethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-iodophenyl)methyl]-3-methyl-1-(2-phenylmethoxyethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(2-benzoxyethyl)-7-(2-iodobenzyl)-3-methyl-8-piperazino-xanthine Formula: C26H29IN6O3 MolecularWeight: 600.45133

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCOCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCOCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C26H29IN6O3/c1-30-23-22(24(34)32(26(30)35)15-16-36-18-19-7-3-2-4-8-19)33(17-20-9-5-6-10-21(20)27)25(29-23)31-13-11-28-12-14-31/h2-10,28H,11-18H2,1H3