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60G : Summary
Code 
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60G
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One-letter code 
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X
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Molecule name 
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methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
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Synonyms 
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Bensulfuron methyl
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Systematic names 
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Formula 
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C16 H18 N4 O7 S
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Formal charge 
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0
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Molecular weight 
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410.402 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COC(=O)c1ccccc1C[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC |
Canonical SMILES
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CACTVS |
3.385 |
COC(=O)c1ccccc1C[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC |
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IUPAC InChI  | 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) |
IUPAC InChI key  | XMQFTWRPUQYINF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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46 (28 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
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HETAIN
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Is modified 
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No
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Standard parent 
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Not Assigned
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Defined at 
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2016-01-07
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Last modified at 
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2021-03-01
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Status 
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Released
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Obsoleted 
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Not Assigned
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