5-[[[(4,6-dimethoxypyrimidin-2-yl)amino]-oxidanidyl-methylidene]amino]sulfonylthiophene-2-carboxylate

Systemtic Name: 5-[[[(4,6-dimethoxypyrimidin-2-yl)amino]-oxidanidyl-methylidene]amino]sulfonylthiophene-2-carboxylate Openeye Name: 5-[[[(4,6-dimethoxypyrimidin-2-yl)amino]-oxido-methylene]amino]sulfonylthiophene-2-carboxylate CAS Name: 5-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxidomethylidene]amino]sulfonyl-2-thiophenecarboxylate IUPAC Name: 5-[[[(4,6-dimethoxypyrimidin-2-yl)amino]-oxidomethylidene]amino]sulfonylthiophene-2-carboxylate Traditional Name: 5-[[[(4,6-dimethoxypyrimidin-2-yl)amino]-oxido-methylene]amino]sulfonyl-2-thenoate Formula: C12H10N4O7S2-2 MolecularWeight: 386.3604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=C(S2)C(=O)[O-])[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=C(S2)C(=O)[O-])[O-])OC

InChI

InChI=1S/C12H12N4O7S2/c1-22-7-5-8(23-2)14-11(13-7)15-12(19)16-25(20,21)9-4-3-6(24-9)10(17)18/h3-5H,1-2H3,(H,17,18)(H2,13,14,15,16,19)/p-2