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

Systemtic Name: methyl sulfate; 1,3,7,9-tetramethylpurin-9-ium-2,6-dione Openeye Name: methyl sulfate; 1,3,7,9-tetramethylpurin-9-ium-2,6-dione CAS Name: methyl sulfate; 1,3,7,9-tetramethylpurin-9-ium-2,6-dione IUPAC Name: methyl sulfate; 1,3,7,9-tetramethylpurin-9-ium-2,6-dione Traditional Name: methyl sulfate; 1,3,7,9-tetramethylpurin-9-ium-2,6-quinone Formula: C10H16N4O6S MolecularWeight: 320.32224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N(C(=O)N2C)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N(C(=O)N2C)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H13N4O2.CH4O4S/c1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3;1-5-6(2,3)4/h5H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1