Molecule Editor

Molecule ID: FYI-1008488 Edit

Molecule Structure InChIKey: WHFZLUYCJHPHDG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn5c(c3csc(N/N=C(C1CCCC1)/C2CCCC2)n3)nc4ccccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1008488
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
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   10.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7991    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6665    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1507    4.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813    5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    9.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956   10.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   11.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282   11.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608   10.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2118    6.0382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 23  1  0  0  0  0
 28 14  2  0  0  0  0
 28 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008488-3D
FYIcenter.com

 55 59  0  0  0  0  0  0  0  0999 V2000
   -1.1359   -4.8014   -1.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8125   -2.3757   -0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112   -2.5044   -0.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4102   -1.9147   -1.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4562   -0.5461   -2.8575 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$