Molecule FYI-1008619

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Molecule Summary:

ID: FYI-1008619
Names:
InChIKey: SWELIMKTDYHAOY-UHFFFAOYSA-N
SMILES: Nc1cc(=O)[nH]c(N)n1

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

Molecule ID: FYI-1008619 Edit

Molecule Structure InChIKey: SWELIMKTDYHAOY-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(=O)[nH]c(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008619
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008619-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -1.2898   -2.3120    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238    1.1603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4247   -0.0141   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700    0.0816    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3532    2.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    0.0205   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    1.1060    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.1642   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    2.0467    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2889   -2.1110   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206   -0.7678   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2222    0.9868   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8092    3.1929   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    2.4265   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

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2024-06-03, 186👍, 0💬