Molecule Editor

Molecule ID: FYI-1015617 Edit

Molecule Structure InChIKey: XYMSIOLVJUSKNB-YZSQISJMSA-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-1015617
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0000   13.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212   14.1997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424   13.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424   12.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212   11.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634   11.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634    9.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    9.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    7.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3166    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9143    0.1474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408    1.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    2.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8846   12.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7581   13.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1057   11.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634   14.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8108   15.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1901   15.8952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950   14.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0148   13.7504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2974   14.5267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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
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 14 13  1  0  0  0  0
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 21 20  2  0  0  0  0
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 23 22  1  0  0  0  0
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 24 19  1  0  0  0  0
 25  6  1  0  0  0  0
 26 25  2  0  0  0  0
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 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 28  1  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015617-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    2.8942   -0.4519    2.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658   -1.3526    1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6794   -2.2071    1.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971   -1.1617    0.0910 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5214   -0.1784   -0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.7209   -0.2848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074   -0.2458   -2.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891   -1.3355   -3.0048 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313   -2.4827   -2.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7643    0.9978   -3.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3886    2.0665   -2.5539 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983    3.2433   -3.7381 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.2682   -4.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2591    2.6694   -6.1292 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    1.0899   -4.3916 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7824   -0.8597    0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2705    0.4521    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6356    0.6996    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -0.3520    0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0695   -1.6651    0.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9065   -2.7513    0.8187 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0858   -2.6384    1.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3227   -1.7732    2.4147 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6512   -1.8453    2.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1187   -0.8924    3.9116 C   0  0  3  0  0  0  0  0  0  0  0  0
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   13.3350    0.2376    4.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$