3-[(4-cyano-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-cyano-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid Openeye Name: 3-[(4-cyano-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid CAS Name: 3-[[[(4-cyano-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-cyano-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid Traditional Name: 3-[(4-cyano-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-2-thenoic acid Formula: C12H9N5O6S2 MolecularWeight: 383.35976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C#N)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O

Isomeric SMILES

COC1=NC(=NC(=C1)C#N)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O

InChI

InChI=1S/C12H9N5O6S2/c1-23-8-4-6(5-13)14-11(15-8)16-12(20)17-25(21,22)7-2-3-24-9(7)10(18)19/h2-4H,1H3,(H,18,19)(H2,14,15,16,17,20)