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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-dimethyl-(phenylmethyl)azanium iodide Openeye Name: benzyl-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]-dimethyl-ammonium iodide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl-dimethyl-(phenylmethyl)ammonium iodide IUPAC Name: benzyl-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-dimethylazanium iodide Traditional Name: benzyl-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]-dimethyl-ammonium iodide Formula: C18H24IN5O2 MolecularWeight: 469.31993

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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)CC3=CC=CC=C3.[I-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[N+](C)(C)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H24N5O2.HI/c1-20-16-15(17(24)21(2)18(20)25)22(13-19-16)10-11-23(3,4)12-14-8-6-5-7-9-14;/h5-9,13H,10-12H2,1-4H3;1H/q+1;/p-1