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

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]ethyl-diethyl-methyl-azanium bromide Openeye Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]ethyl-diethyl-methyl-ammonium bromide CAS Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]ethyl-diethyl-methylammonium bromide IUPAC Name: 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]ethyl-diethyl-methylazanium bromide Traditional Name: 2-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]ethyl-diethyl-methyl-ammonium bromide Formula: C16H27BrN6O3 MolecularWeight: 431.32798

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C.[Br-]

InChI

InChI=1S/C16H26N6O3.BrH/c1-6-22(5,7-2)9-8-17-12(23)10-21-11-18-14-13(21)15(24)20(4)16(25)19(14)3;/h11H,6-10H2,1-5H3;1H