Molecule Editor

Molecule ID: FYI-1006406 Edit

Molecule Structure InChIKey: GLQIFUKRFSSYKX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc4cccc(c3nc(C(N)=O)c2[nH]c(=O)n(c1cccc(C)c1)c2n3)c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006406
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.2107    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    9.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5734    9.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3610    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734    4.8282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7858    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7858    1.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    3.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1485    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1081    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9367    4.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    5.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019    1.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700    1.3588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6775    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7858    6.9282    0.0000 O   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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 12  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  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 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 25 16  1  0  0  0  0
 25 11  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  2  0  0  0  0
 29  8  2  0  0  0  0
 29  4  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006406-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
    4.9456   -0.0179    0.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559    0.7396    0.8924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766    0.3472    1.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7009   -4.4541    0.6081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6022    0.4169    0.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320   -1.7177    0.3668 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1943   -0.2062   -0.2645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263   -2.5938   -0.0455 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336   -5.1590    0.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -0.4603   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3869    2.5232    0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3227    3.9052    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4079    4.5894   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$