3-azanyl-1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyrrole-2-carboxylic acid

Systemtic Name: 3-azanyl-1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyrrole-2-carboxylic acid Openeye Name: 3-amino-1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyrrole-2-carboxylic acid CAS Name: 3-amino-1-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-2-pyrrolecarboxylic acid IUPAC Name: 3-amino-1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyrrole-2-carboxylic acid Traditional Name: 3-amino-1-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyrrole-2-carboxylic acid Formula: C12H14N6O7S MolecularWeight: 386.34056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)N2C=CC(=C2C(=O)O)N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)N2C=CC(=C2C(=O)O)N)OC

InChI

InChI=1S/C12H14N6O7S/c1-24-7-5-8(25-2)15-11(14-7)16-12(21)17-26(22,23)18-4-3-6(13)9(18)10(19)20/h3-5H,13H2,1-2H3,(H,19,20)(H2,14,15,16,17,21)