Methyl 2-[(4,6-Dimethoxypyrimidin-2-Yl)Carbamoylsulfamoylmethyl]Benzoate
[CAS# 104466-83-3]

Identification

• Name: Methyl 2-[(4,6-Dimethoxypyrimidin-2-Yl)Carbamoylsulfamoylmethyl]Benzoate
• Synonyms: 2-[[[(4,6-Dimethoxy-2-Pyrimidinyl)Amino]-Oxomethyl]Sulfamoylmethyl]Benzoic Acid Methyl Ester; 2-[(4,6-Dimethoxypyrimidin-2-Yl)Carbamoylsulfamoylmethyl]Benzoic Acid Methyl Ester; Bensulfuron Methyl
• Molecular Formula: C₁₆H₁₈N₄O₇S
• Molecular Weight: 410.40
• CAS Registry Number: 104466-83-3
• SMILES: C1=C(C(=CC=C1)C[S](NC(NC2=NC(=CC(=N2)OC)OC)=O)(=O)=O)C(OC)=O
• InChI: 1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
• InChIKey: XMQFTWRPUQYINF-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)

References

• (1): Jin-yun Xia, Fang-shi Li, Li-he Yin, Da-sheng Yu and Deng-yu Wu . Methyl 2-{[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonylmethyl}benzoate , Acta Cryst (2008). E64, o632Â Â