3-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[5-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazol-4-yl]propanoic acid Traditional Name: 3-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazol-4-yl]propionic acid Formula: C14H18N6O7S MolecularWeight: 414.39372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)CCC(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CN1C(=C(C=N1)CCC(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C14H18N6O7S/c1-20-12(8(7-15-20)4-5-11(21)22)28(24,25)19-14(23)18-13-16-9(26-2)6-10(17-13)27-3/h6-7H,4-5H2,1-3H3,(H,21,22)(H2,16,17,18,19,23)