Molecule Editor

Molecule ID: FYI-1015416 Edit

Molecule Structure InChIKey: YCLZGGIGAGSANO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015416
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015416-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    3.0108    2.8202   -1.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7816    1.7347   -1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3741    0.7234   -2.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1369   -0.3763   -1.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7310   -1.3740   -2.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4698   -2.3958   -1.5786 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1286   -3.3593   -2.4552 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2048   -2.7473   -3.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2119   -1.9622   -2.6405 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4959   -2.5445   -1.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4355   -1.8728   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8402   -2.5701    0.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7082   -0.5424   -0.7752 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5418    0.2848    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3707   -0.2247    1.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1512    0.6301    1.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1575   -0.0238    3.0302 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1222    2.0044    1.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3156    2.5284    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5393    1.6675   -0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7448    2.1709   -1.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215   -3.9058   -1.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1113    1.2252   -0.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    2.1950   -0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0492    1.2367   -2.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733    0.2744   -2.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4644   -0.8912   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9404    0.0750   -0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3920   -0.8220   -2.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353   -1.8320   -2.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8429   -2.9198   -0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3853   -3.8937   -3.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334   -2.0921   -4.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7180   -3.5399   -3.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2035   -0.0925   -1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4406   -1.2897    1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7266    2.6651    2.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3024    3.6030    0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8734    3.1343   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5425   -4.5107   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$