2-[1-ethyl-8-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]ethyl-dimethyl-propyl-azanium bromide

Systemtic Name: 2-[1-ethyl-8-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]ethyl-dimethyl-propyl-azanium bromide Openeye Name: 2-(1-ethyl-8-methyl-2,6-dioxo-7H-purin-3-yl)ethyl-dimethyl-propyl-ammonium bromide CAS Name: 2-(1-ethyl-8-methyl-2,6-dioxo-7H-purin-3-yl)ethyl-dimethyl-propylammonium bromide IUPAC Name: 2-(1-ethyl-8-methyl-2,6-dioxo-7H-purin-3-yl)ethyl-dimethyl-propylazanium bromide Traditional Name: 2-(1-ethyl-2,6-diketo-8-methyl-7H-purin-3-yl)ethyl-dimethyl-propyl-ammonium bromide Formula: C15H26BrN5O2 MolecularWeight: 388.30324

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C.[Br-]

Isomeric SMILES

CCC[N+](C)(C)CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C.[Br-]

InChI

InChI=1S/C15H25N5O2.BrH/c1-6-9-20(4,5)10-8-19-13-12(16-11(3)17-13)14(21)18(7-2)15(19)22;/h6-10H2,1-5H3;1H