2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-trimethyl-azanium iodide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl-trimethyl-ammonium iodide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl-trimethylammonium iodide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-trimethylazanium iodide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl-trimethyl-ammonium iodide Formula: C12H20IN5O2 MolecularWeight: 393.22397

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[N+](C)(C)C.[I-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[N+](C)(C)C.[I-]

InChI

InChI=1S/C12H20N5O2.HI/c1-14-10-9(11(18)15(2)12(14)19)16(8-13-10)6-7-17(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1