6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylic acid

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylic acid Openeye Name: 6-(2-methoxy-2-oxo-ethyl)sulfanyl-9-methyl-7-oxido-purin-7-ium-8-carboxylic acid CAS Name: 6-[(2-methoxy-2-oxoethyl)thio]-9-methyl-7-oxido-8-purin-7-iumcarboxylic acid IUPAC Name: 6-(2-methoxy-2-oxoethyl)sulfanyl-9-methyl-7-oxidopurin-7-ium-8-carboxylic acid Traditional Name: 6-[(2-keto-2-methoxy-ethyl)thio]-9-methyl-7-oxido-purin-7-ium-8-carboxylic acid Formula: C10H10N4O5S MolecularWeight: 298.2752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)SCC(=O)OC)[N+](=C1C(=O)O)[O-]

Isomeric SMILES

CN1C2=C(C(=NC=N2)SCC(=O)OC)[N+](=C1C(=O)O)[O-]

InChI

InChI=1S/C10H10N4O5S/c1-13-7-6(14(18)9(13)10(16)17)8(12-4-11-7)20-3-5(15)19-2/h4H,3H2,1-2H3,(H,16,17)