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

Systemtic Name: 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]propyl-diethyl-methyl-azanium bromide Openeye Name: 3-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]propyl-diethyl-methyl-ammonium bromide CAS Name: 3-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]propyl-diethyl-methylammonium bromide IUPAC Name: 3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]propyl-diethyl-methylazanium bromide Traditional Name: 3-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]propyl-diethyl-methyl-ammonium bromide Formula: C17H29BrN6O3 MolecularWeight: 445.35456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O3.BrH/c1-6-23(5,7-2)10-8-9-18-13(24)11-22-12-19-15-14(22)16(25)21(4)17(26)20(15)3;/h12H,6-11H2,1-5H3;1H