Molecule FYI-1008357

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Molecule Summary:

ID: FYI-1008357
Names:
InChIKey: AUEJAOKPOPOGHM-UHFFFAOYSA-N
SMILES: O=C(O)Cn1nccn1

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

Molecule ID: FYI-1008357 Edit

Molecule Structure InChIKey: AUEJAOKPOPOGHM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)Cn1nccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008357
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    5.8531    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008357-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -3.1255   -0.0041   -0.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6518    0.0102    1.3671 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.0026   -0.4181 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587   -1.1552   -0.1680 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1592    1.1527   -0.1829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502   -0.0057   -0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8765    0.0020    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3346   -0.6996    0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    0.7024    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -0.9065   -1.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9646    0.8869   -1.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070   -1.3935    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1075    1.3996    0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8190   -0.0004    0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1168👍, 0💬