Chemical Components in the PDB

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60G : Summary

Code

60G

One-letter code

X

Molecule name

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate

Synonyms

Bensulfuron methyl

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate

Formula

C16 H18 N4 O7 S

Formal charge

0

Molecular weight

410.402 Da

SMILES

TypeProgramVersionDescriptor
SMILES 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 CACTVS 3.385 COC(=O)c1ccccc1C[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2
Canonical SMILES OpenEye OEToolkits 2.0.4 COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC

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
60G

wwPDB Information

Atom count

46 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-01-07

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned