dimethyl-[3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropyl]azanium chloride

Systemtic Name: dimethyl-[3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropyl]azanium chloride Openeye Name: dimethyl-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropyl]ammonium chloride CAS Name: dimethyl-[3-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]propyl]ammonium chloride IUPAC Name: dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium chloride Traditional Name: 3-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]propyl-dimethyl-ammonium chloride Formula: C13H22ClN5O2S MolecularWeight: 347.86408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCC[NH+](C)C)N(C(=O)N(C2=O)C)C.[Cl-]

Isomeric SMILES

CN1C2=C(N=C1SCCC[NH+](C)C)N(C(=O)N(C2=O)C)C.[Cl-]

InChI

InChI=1S/C13H21N5O2S.ClH/c1-15(2)7-6-8-21-12-14-10-9(16(12)3)11(19)18(5)13(20)17(10)4;/h6-8H2,1-5H3;1H