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

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-3-methyl-1-(oxolan-2-ylmethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 7-[(2-iodophenyl)methyl]-3-methyl-1-(2-oxolanylmethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-iodophenyl)methyl]-3-methyl-1-(oxolan-2-ylmethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-iodobenzyl)-3-methyl-8-piperazino-1-(tetrahydrofurfuryl)xanthine Formula: C22H27IN6O3 MolecularWeight: 550.39265

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3CCCO3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3CCCO3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C22H27IN6O3/c1-26-19-18(20(30)29(22(26)31)14-16-6-4-12-32-16)28(13-15-5-2-3-7-17(15)23)21(25-19)27-10-8-24-9-11-27/h2-3,5,7,16,24H,4,6,8-14H2,1H3