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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-trimethyl-azanium Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl-trimethyl-ammonium CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl-trimethylammonium IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-trimethylazanium Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl-trimethyl-ammonium Formula: C12H20N5O2+ MolecularWeight: 266.3195

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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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N5O2/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/q+1