6-(4,6-dimethoxypyrimidin-2-yl)-2,3-disulfamoyl-benzamide

Systemtic Name: 6-(4,6-dimethoxypyrimidin-2-yl)-2,3-disulfamoyl-benzamide Openeye Name: 6-(4,6-dimethoxypyrimidin-2-yl)-2,3-disulfamoyl-benzamide CAS Name: 6-(4,6-dimethoxy-2-pyrimidinyl)-2,3-disulfamoylbenzamide IUPAC Name: 6-(4,6-dimethoxypyrimidin-2-yl)-2,3-disulfamoylbenzamide Traditional Name: 6-(4,6-dimethoxypyrimidin-2-yl)-2,3-disulfamoyl-benzamide Formula: C13H15N5O7S2 MolecularWeight: 417.4175

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=C(C(=C(C=C2)S(=O)(=O)N)S(=O)(=O)N)C(=O)N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=C(C(=C(C=C2)S(=O)(=O)N)S(=O)(=O)N)C(=O)N)OC

InChI

InChI=1S/C13H15N5O7S2/c1-24-8-5-9(25-2)18-13(17-8)6-3-4-7(26(15,20)21)11(27(16,22)23)10(6)12(14)19/h3-5H,1-2H3,(H2,14,19)(H2,15,20,21)(H2,16,22,23)