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

Systemtic Name: 4-bromanyl-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-bromo-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-bromo-5-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-bromo-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-bromo-5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C13H14BrN5O5S MolecularWeight: 432.24976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=C(N2C)C(=O)O)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=C(N2C)C(=O)O)Br)C

InChI

InChI=1S/C13H14BrN5O5S/c1-6-4-7(2)16-12(15-6)17-13(22)18-25(23,24)10-8(14)5-9(11(20)21)19(10)3/h4-5H,1-3H3,(H,20,21)(H2,15,16,17,18,22)