Molecule FYI-1008389

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Molecule Summary:

ID: FYI-1008389
Names:
InChIKey: BGXMRRHONOWTLI-UHFFFAOYSA-N
SMILES: Nc1ncnc2[nH]ccc(=O)c12

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

Molecule ID: FYI-1008389 Edit

Molecule Structure InChIKey: BGXMRRHONOWTLI-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncnc2[nH]ccc(=O)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008389
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   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 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
    1.2124    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 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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008389-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
    1.4811   -2.2161    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632   -0.2542    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2545    1.8360   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0331    1.9054    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948   -2.3811   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0285   -0.3368   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048   -1.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0393    1.1762    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3049   -1.0057   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4497   -0.0696   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220    1.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2382    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2408   -0.7622    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512   -0.4835   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3204    1.5709   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1015    1.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614   -2.9547    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2105   -2.8120    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  2  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1496👍, 0💬