Marvin  09261115322D          

 14 15  0  0  0  0            999 V2000
   10.0801   -7.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7945   -7.5122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0801   -8.7498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5090   -7.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7945   -9.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5090   -8.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3656   -7.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5406   -7.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9531   -6.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2235   -7.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2235   -6.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9379   -7.9249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2234   -9.1622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7945   -9.9872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
  1  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
  4 10  1  0  0  0  0
  6 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <ID>
CHEBI:62952

> <NAME>
aminocyclopyrachlor

> <DEFINITION>
An organochlorine herbicide, the structure of which is that of pyrimidine-4-carboxylic acid substituted at positions 2, 5 and 6 by cyclopropyl, chloro and amino groups respectively.

> <STAR>
3

> <SYNONYM>
aminocyclopyrachlore; 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid

> <IUPAC_NAME>
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid

> <BRAND_NAME>
Imprelis

> <FORMULA>
C8H8ClN3O2

> <MASS>
213.62100

> <MONOISOTOPIC_MASS>
213.03050

> <CHARGE>
0

> <SMILES>
Nc1nc(nc(C(O)=O)c1Cl)C1CC1

> <INCHI>
InChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)

> <INCHIKEY>
KWAIHLIXESXTJL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
858956-08-8

> <REAXYS_REGISTRY_NUMBER>
11329725

> <CHEMIDPLUS>
858956-08-8

> <WIKIPEDIA_ACCESSION>
Aminocyclopyrachlor

> <AGRICOLA_CITATION>
IND44360965; IND44360966

> <PUBMED_CITATION>
19063674; 21384924; 21594961

$$$$