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

Systemtic Name: 1-[2-(1,3-dioxolan-2-yl)ethyl]-7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[2-(1,3-dioxolan-2-yl)ethyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[2-(1,3-dioxolan-2-yl)ethyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[2-(1,3-dioxolan-2-yl)ethyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-(1,3-dioxolan-2-yl)ethyl]-7-(2-iodobenzyl)-3-methyl-8-piperazino-xanthine Formula: C22H27IN6O4 MolecularWeight: 566.39205

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3OCCO3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3OCCO3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C22H27IN6O4/c1-26-19-18(20(30)28(22(26)31)9-6-17-32-12-13-33-17)29(14-15-4-2-3-5-16(15)23)21(25-19)27-10-7-24-8-11-27/h2-5,17,24H,6-14H2,1H3