Molecule FYI-1008793

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A

Molecule Summary:

ID: FYI-1008793
Names:
InChIKey: WHYJMPNVSRFLNT-UHFFFAOYSA-N
SMILES: C#Cc1nc(OC)cc(OC)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008793 Edit

Molecule Structure InChIKey: WHYJMPNVSRFLNT-UHFFFAOYSA-N

Molecule Structure SMILES String: C#Cc1nc(OC)cc(OC)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008793
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008793-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -2.3688   -1.5624   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3721   -1.5582    0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2050    0.4432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048    0.4454   -0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017   -1.6393    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669   -0.9054    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -0.9033   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    1.0458   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5403   -0.7546    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5421   -0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029    2.4681    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0051    3.6689    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027   -2.7220    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -1.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5903   -0.1348   -0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5901   -0.1358    0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4113   -1.4125    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908   -0.1269    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5909   -0.1306   -0.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071    4.7339    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  3  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1648👍, 0💬