Molecule FYI-1008519

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A

Molecule Summary:

ID: FYI-1008519
Names:
InChIKey: MKYITYRIURYLEQ-UHFFFAOYSA-N
SMILES: NCc1cncnc1N

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

Molecule ID: FYI-1008519 Edit

Molecule Structure InChIKey: MKYITYRIURYLEQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NCc1cncnc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008519
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   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
    1.2125    2.8000    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
    0.0000    0.7000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008519-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -2.7165    0.5836   -0.7080 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.0674   -0.1817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -2.1054    0.1087 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696    1.3293   -0.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785    0.2840    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9339    0.4291    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -0.9316    0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    1.3916    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1573    0.0868   -0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3242   -0.4093    1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    1.3156    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453    2.3956    0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998    0.6997   -0.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619   -0.2742   -1.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6051   -2.0571   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1578   -2.9812   -0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204    0.0071   -0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1543👍, 0💬