Molecule FYI-1008373

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A

Molecule Summary:

ID: FYI-1008373
Names:
InChIKey: YVOLUPPVPQLTHT-UHFFFAOYSA-N
SMILES: Nc1nccc2nccnc12

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

Molecule ID: FYI-1008373 Edit

Molecule Structure InChIKey: YVOLUPPVPQLTHT-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nccc2nccnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008373
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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
    2.4249    2.8000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008373-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    0.9855    1.4181   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6598   -1.2808    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3253   -0.1087   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6649    2.1626    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0346    0.4658   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3711   -0.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3133    0.7867   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6498   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656   -1.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    1.0121   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.3176    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283   -2.9004    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7851   -2.1158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0174    1.7934   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290   -0.6543    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0182    2.8216    0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6527    2.3844    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  2  6  2  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1588👍, 0💬