Molecule FYI-1008310

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Molecule Summary:

ID: FYI-1008310
Names:
InChIKey: VQZRXBOTCNWNLM-UHFFFAOYSA-N
SMILES: Cc1nc(C)nc(N)n1

Received at FYIcenter.com on: 2024-04-27

Molecule ID: FYI-1008310 Edit

Molecule Structure InChIKey: VQZRXBOTCNWNLM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nc(C)nc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008310
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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    2.1000    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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008310-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    0.0009   -1.3766    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002    0.7006    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    0.7023    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    2.7161   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1226   -0.6382    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1217   -0.6399    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010    1.3044    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141   -1.3826   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120   -1.3861   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448   -0.7332    0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3722   -2.2198    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6156   -1.7741   -1.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285   -1.0713    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9581   -1.1862   -0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480   -2.4654    0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8775    3.2139   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823    3.2125   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  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  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1968👍, 0💬