Molecule Editor

Molecule ID: FYI-1015612 Edit

Molecule Structure InChIKey: XYMSIOLVJUSKNB-ONUIUJJFSA-N

Molecule Structure SMILES String: CC(=O)C(C(=O)/C(=N/O)c1nsc(N)n1)c4cccc(Oc3nc(C2C=CNC=C2)cs3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015612
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.2158   11.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   11.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   13.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   14.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369   13.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.5695    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306   17.0610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695   15.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407   14.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1981    4.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5884    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9807    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8037    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2343    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8418    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0191    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    4.8756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    9.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531   11.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
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  9  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
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 13  2  1  0  0  0  0
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 31 18  2  0  0  0  0
 31 14  1  0  0  0  0
 32 13  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015612-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    1.2422    1.9478    2.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7009    1.8103    1.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347    2.3228    2.7073 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912    0.9620    0.7188 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4728    1.4765   -0.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    2.6323   -0.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2575    0.4744   -1.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8779   -0.7267   -1.3477 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7328   -1.6089   -2.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.9249   -3.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162    1.8946   -3.3842 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910    2.2363   -5.0097 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9786    1.0500   -5.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308    0.8295   -6.4993 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6650    0.4172   -4.1868 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108    0.8263    0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4197    1.9636    0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8104    1.8526    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156    0.6045    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6293   -0.5355    0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1388   -1.8109    0.8169 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3402   -2.0742    1.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9226   -1.3460    2.2667 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662   -1.8826    2.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0053   -1.1793    3.6393 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3332   -0.7031    3.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4866   -0.9465    3.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243   -1.6541    4.8763 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4004   -2.2051    5.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5615   -2.7846    6.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6373   -1.3259    0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
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 31 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END
$$$$