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

Systemtic Name: 1-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(1,3-dioxolan-2-ylmethyl)-7-(2-iodobenzyl)-3-methyl-8-piperazino-xanthine Formula: C21H25IN6O4 MolecularWeight: 552.36547

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3OCCO3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3OCCO3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C21H25IN6O4/c1-25-18-17(19(29)28(21(25)30)13-16-31-10-11-32-16)27(12-14-4-2-3-5-15(14)22)20(24-18)26-8-6-23-7-9-26/h2-5,16,23H,6-13H2,1H3