Molecule FYI-1006324

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A

Molecule Summary:

ID: FYI-1006324
Names:
InChIKey: SNXSICUVFPRREX-UHFFFAOYSA-N
SMILES: O=N(=O)C3=CNc2nc(c1ccco1)nn2C3

Received at FYIcenter.com on: 2023-12-09

Molecule ID: FYI-1006324 Edit

Molecule Structure InChIKey: SNXSICUVFPRREX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)C3=CNc2nc(c1ccco1)nn2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006324
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.8326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7294    0.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8620    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4294    3.0956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0294    3.0956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2314    1.4730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1682    2.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7355    3.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3661    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6723    4.8853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417    4.5942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2397    6.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  2  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006324-3D
FYIcenter.com

 24 26  0     0  0  0  0  0  0999 V2000
    3.5881    1.2987    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1619   -0.2896    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.3906    1.7735   -0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193    0.3204    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744   -1.8284    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6613    0.9540    0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208   -1.3285   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2387    0.5410   -0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7949    1.0330   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640   -1.0485    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128    0.0451   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -0.0866    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422   -1.2816    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9632    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848   -0.9293   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1576   -0.3103   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9231    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8023    1.6579   -0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8030    1.6587    0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187   -2.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5177   -2.0368    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796   -1.9909   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1248   -0.7916   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5639    1.9147    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-17, 382👍, 0💬