Molecule Editor

Molecule ID: FYI-1004895 Edit

Molecule Structure InChIKey: MBYANZQPKJSMCU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nnnc1S(=O)(=O)CCN4CCc3c(O)cc(OCc2ccccc2)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004895
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.2734    7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6833    7.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3833    9.0774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4465   10.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2551   11.4607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427    9.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302   10.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3178    9.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063    5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    5.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    4.7437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797    3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6839    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9901    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4228    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    7.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    8.1560    0.0000 C   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
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  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  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  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
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 19  1  0  0  0  0
 29 28  2  0  0  0  0
 29 15  1  0  0  0  0
 29 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004895-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.9255   -3.1522    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -2.7834   -0.3542 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7935   -2.0936   -1.5066 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   -1.8966   -1.8725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -2.4607   -0.9751 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4160   -3.0237   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523   -3.9295    1.3246 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713   -5.2954    1.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -3.2001    2.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9219   -3.8348    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8020   -1.3205   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9358    0.2810    0.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$