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

Systemtic Name: 2-[1-ethyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]ethyl-dimethyl-propyl-azanium bromide Openeye Name: 2-(1-ethyl-2,6-dioxo-7H-purin-3-yl)ethyl-dimethyl-propyl-ammonium bromide CAS Name: 2-(1-ethyl-2,6-dioxo-7H-purin-3-yl)ethyl-dimethyl-propylammonium bromide IUPAC Name: 2-(1-ethyl-2,6-dioxo-7H-purin-3-yl)ethyl-dimethyl-propylazanium bromide Traditional Name: 2-(1-ethyl-2,6-diketo-7H-purin-3-yl)ethyl-dimethyl-propyl-ammonium bromide Formula: C14H24BrN5O2 MolecularWeight: 374.27666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N5O2.BrH/c1-5-8-19(3,4)9-7-18-12-11(15-10-16-12)13(20)17(6-2)14(18)21;/h10H,5-9H2,1-4H3;1H