Molecule Editor

Molecule ID: FYI-1015445 Edit

Molecule Structure InChIKey: PSDJXTGHGWBSGF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015445
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 14  2  0  0  0  0
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 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015445-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    0.9355   -0.6540    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516   -0.7280    0.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978   -1.5786   -0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5196   -1.6509   -0.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0739   -2.4976   -1.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950   -2.5479   -1.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1511   -3.3658   -2.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6135   -3.4246   -2.6178 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1738   -4.0550   -1.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6864   -5.4441   -1.1088 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6219   -6.0872   -2.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6088   -8.0107   -1.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$