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

Systemtic Name: dimethyl-[3-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]propyl]azanium chloride Openeye Name: dimethyl-[3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propyl]ammonium chloride CAS Name: dimethyl-[3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propyl]ammonium chloride IUPAC Name: dimethyl-[3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propyl]azanium chloride Traditional Name: 3-(2,6-diketo-3-methyl-7H-purin-1-yl)propyl-dimethyl-ammonium chloride Formula: C11H18ClN5O2 MolecularWeight: 287.74592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC[NH+](C)C)NC=N2.[Cl-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC[NH+](C)C)NC=N2.[Cl-]

InChI

InChI=1S/C11H17N5O2.ClH/c1-14(2)5-4-6-16-10(17)8-9(13-7-12-8)15(3)11(16)18;/h7H,4-6H2,1-3H3,(H,12,13);1H