[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridin-3-yl] methanesulfonate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridin-3-yl] methanesulfonate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-pyridyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-3-pyridinyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-pyridyl] ester Formula: C13H15N5O8S2 MolecularWeight: 433.4169

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)OS(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)OS(=O)(=O)C)OC

InChI

InChI=1S/C13H15N5O8S2/c1-24-9-7-10(25-2)16-12(15-9)17-13(19)18-28(22,23)11-8(5-4-6-14-11)26-27(3,20)21/h4-7H,1-3H3,(H2,15,16,17,18,19)