2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate

methyl sulfate;1,3,7,9-tetramethylpurin-9-ium-2,6-dione

Also Known As: 1,3,7,9-tetramethylxanthinium methylsulfate|1,3,7,9-tetramethylxanthinium methyl sulfate|2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate|methyl sulfate;1,3,7,9-tetramethylpurin-9-ium-2,6-dione|methyl sulfate; 1,3,7,9-tetramethylpurin-9-ium-2,6-dione|1,3,7,9-Tetramethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-7-ium methyl sulfate|Purinium, 1,2,3,6-tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-, methyl sulfate

Molecular Formula	C10H16N4O6S
Molecular Weight	320.07904 g/mol
LogP	-2.5068
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	320.07904
Monoisotopic Mass	320.07904
Heavy Atoms	21
Complexity	410.0

Chemical Identifiers

CAS Number	18623-34-2
SMILES	CN1C=[N+](C2=C1C(=O)N(C(=O)N2C)C)C.COS(=O)(=O)[O-]
InChIKey	CODOGAUIMIDHBR-UHFFFAOYSA-M