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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2)N(C1=O)CCC[NH+](C)C.[Cl-]

Isomeric SMILES

CN1C(=O)C2=C(N=CN2)N(C1=O)CCC[NH+](C)C.[Cl-]

InChI

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