2-[(4-ethynyl-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[(4-ethynyl-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(4-ethynyl-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[(4-ethynyl-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(4-ethynyl-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(4-ethynyl-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C#C)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C#C)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H12N4O5S/c1-3-10-8-9(2)16-14(17-10)18-15(22)19-25(23,24)12-7-5-4-6-11(12)13(20)21/h1,4-8H,2H3,(H,20,21)(H2,16,17,18,19,22)