diethyl-methyl-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxyethyl]azanium bromide

Systemtic Name: diethyl-methyl-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxyethyl]azanium bromide Openeye Name: diethyl-methyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)oxyethyl]ammonium bromide CAS Name: diethyl-methyl-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)oxy]ethyl]ammonium bromide IUPAC Name: diethyl-methyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)oxyethyl]azanium bromide Traditional Name: 2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)oxyethyl-diethyl-methyl-ammonium bromide Formula: C15H26BrN5O3 MolecularWeight: 404.30264

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Br-]

InChI

InChI=1S/C15H26N5O3.BrH/c1-7-20(6,8-2)9-10-23-14-16-12-11(17(14)3)13(21)19(5)15(22)18(12)4;/h7-10H2,1-6H3;1H/q+1;/p-1