4-bromanyl-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-bromo-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-bromo-5-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-bromo-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-bromo-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C12H12BrN5O5S MolecularWeight: 418.22318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=C(N2)C(=O)O)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=C(N2)C(=O)O)Br)C

InChI

InChI=1S/C12H12BrN5O5S/c1-5-3-6(2)15-11(14-5)17-12(21)18-24(22,23)9-7(13)4-8(16-9)10(19)20/h3-4,16H,1-2H3,(H,19,20)(H2,14,15,17,18,21)