9-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-8H-purine-2,6-dione

Systemtic Name: 9-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-8H-purine-2,6-dione Openeye Name: 9-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-8H-purine-2,6-dione CAS Name: 9-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-(1-piperazinyl)-8H-purine-2,6-dione IUPAC Name: 9-(1,3-dioxolan-2-ylmethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-8H-purine-2,6-dione Traditional Name: 9-(1,3-dioxolan-2-ylmethyl)-7-(2-iodobenzyl)-3-methyl-8-piperazino-8H-purine-2,6-quinone Formula: C21H27IN6O4 MolecularWeight: 554.38135

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(N2CC3OCCO3)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(N2CC3OCCO3)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C21H27IN6O4/c1-25-19-17(18(29)24-20(25)30)27(12-14-4-2-3-5-15(14)22)21(26-8-6-23-7-9-26)28(19)13-16-31-10-11-32-16/h2-5,16,21,23H,6-13H2,1H3,(H,24,29,30)