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

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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 Structure CAS#: 104466-83-3, Methyl 2-[(4,6-Dimethoxypyrimidin-2-Yl)Carbamoylsulfamoylmethyl]Benzoate
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, o632  
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