Molecule FYI-1008271

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Molecule Summary:

ID: FYI-1008271
Names:
InChIKey: IFFLKGMDBKQMAH-UHFFFAOYSA-N
SMILES: Nc1ccnc(N)c1

Received at FYIcenter.com on: 2024-04-26

Molecule ID: FYI-1008271 Edit

Molecule Structure InChIKey: IFFLKGMDBKQMAH-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccnc(N)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008271
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008271-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
    1.2465    1.0146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501   -0.9893   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3686   -1.0870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2107   -0.3179    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239   -1.0423    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675   -0.3349   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    1.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0351   -2.1283   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0766    1.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1584    2.7663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785   -2.0002   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3123   -0.4606   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599   -2.0087    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367   -0.5658    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1233👍, 0💬