KEGG   COMPOUND: C14457Help
Entry
C14457                      Compound                               

Name
Simetryn;
2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine
Formula
C8H15N5S
Exact mass
213.1048
Mol weight
213.3032
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Triazine herbicides
    C14457  Simetryn
BRITE hierarchy
Other DBs
CAS: 1014-70-6
PubChem: 17395457
ChEBI: 34976
ChEMBL: CHEMBL1888800
NIKKAJI: J3.657I
KCF data Show

ATOM        14
            1   C8y C    29.9442  -26.7091
            2   N5x N    28.7325  -27.4115
            3   N5x N    29.9442  -25.3102
            4   N1b N    31.1559  -27.4057
            5   C8y C    27.5149  -26.7091
            6   C8y C    28.7325  -24.6078
            7   C1b C    32.3675  -26.7091
            8   N5x N    27.5149  -25.3102
            9   N1b N    26.3032  -27.4115
            10  S2a S    28.7325  -23.2087
            11  C1a C    33.5791  -27.4057
            12  C1b C    25.0915  -26.7091
            13  C1a C    23.8801  -27.4115
            14  C1a C    29.9417  -22.5104
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   12  13 1
            13    6   8 1
            14   10  14 1

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