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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl-triethyl-azanium bromide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl-triethyl-ammonium bromide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl-triethylammonium bromide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl-triethylazanium bromide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl-triethyl-ammonium bromide Formula: C15H26BrN5O2 MolecularWeight: 388.30324

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C.[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C.[Br-]

InChI

InChI=1S/C15H26N5O2.BrH/c1-6-20(7-2,8-3)10-9-19-14(21)12-13(16-11-17(12)4)18(5)15(19)22;/h11H,6-10H2,1-5H3;1H/q+1;/p-1