Ketcher 11062015082D 1   1.00000     0.00000     0

 31 33  0     0  0            999 V2000
   15.9200  -12.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9200  -13.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7889  -13.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6477  -13.3639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6477  -12.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7889  -11.8612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0535  -11.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1864  -12.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5148  -11.8618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3814  -12.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3767  -13.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2430  -13.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1103  -13.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1110  -12.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2445  -11.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9782  -11.8630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8447  -12.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8393  -13.3636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7007  -13.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5679  -13.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5686  -12.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7022  -11.8616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4357  -11.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3023  -12.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6999  -14.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5664  -15.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7901  -14.8617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9240  -15.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2437  -10.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1100  -10.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3764  -10.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 10  1  0     0  0
  1  2  2  0     0  0
 14 16  1  0     0  0
  7  8  1  0     0  0
 16 17  1  0     0  0
  2  3  1  0     0  0
  5  9  1  0     0  0
  3  4  2  0     0  0
  9 10  1  0     0  0
  4  5  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 17  1  0     0  0
  5  6  2  0     0  0
 21 23  1  0     0  0
  6  1  1  0     0  0
 23 24  1  0     0  0
 19 25  1  0     0  0
  1  7  1  0     0  0
 25 26  1  0     0  0
 10 11  2  0     0  0
  3 27  1  0     0  0
 11 12  1  0     0  0
 27 28  1  0     0  0
 12 13  2  0     0  0
 15 29  1  0     0  0
 13 14  1  0     0  0
 29 30  1  0     0  0
 14 15  2  0     0  0
 29 31  2  0     0  0
M  END
> <ID>
CHEBI:3129

> <NAME>
bispyribac

> <DEFINITION>
A member of the class of benzoic acids that is benzoic acid substituted by (4,6-dimethoxypyrimidin-2-yl)oxy groups at positions 2 and 6. Its sodium salt is used as a broad spectrum post emergent herbicide for the control of grasses, sedges and broadleaf weeds in rice crops.

> <STAR>
3

> <SYNONYM>
2,6-bis(4,6-dimethoxy-2-pyrimidinyloxy)benzoic acid

> <IUPAC_NAME>
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid

> <FORMULA>
C19H18N4O8

> <MASS>
430.373

> <MONOISOTOPIC_MASS>
430.11246

> <CHARGE>
0

> <SMILES>
COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C(O)=O)=N1

> <INCHI>
InChI=1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)

> <INCHIKEY>
RYVIXQCRCQLFCM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
125401-75-4

> <CHEMIDPLUS>
125401-75-4

> <KEGG_COMPOUND_ACCESSION>
C10915

> <PDBECHEM_ACCESSION>
6QL

> <PESTICIDES_ACCESSION>
bispyribac

> <PUBMED_CITATION>
20397802; 30781449; 32625687

$$$$