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

Systemtic Name: 1-[2-(1,3-dioxan-2-yl)ethyl]-7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[2-(1,3-dioxan-2-yl)ethyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[2-(1,3-dioxan-2-yl)ethyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[2-(1,3-dioxan-2-yl)ethyl]-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-(1,3-dioxan-2-yl)ethyl]-7-(2-iodobenzyl)-3-methyl-8-piperazino-xanthine Formula: C23H29IN6O4 MolecularWeight: 580.41863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3OCCCO3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3OCCCO3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C23H29IN6O4/c1-27-20-19(21(31)29(23(27)32)10-7-18-33-13-4-14-34-18)30(15-16-5-2-3-6-17(16)24)22(26-20)28-11-8-25-9-12-28/h2-3,5-6,18,25H,4,7-15H2,1H3