Molecule FYI-1010691

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A

Molecule Summary:

ID: FYI-1010691
Names:
InChIKey: MQGBARXPCXAFRZ-UHFFFAOYSA-N
SMILES: Cc1nc(C)c(C(=O)O)s1

Received at FYIcenter.com on: 2024-07-02

Molecule ID: FYI-1010691 Edit

Molecule Structure InChIKey: MQGBARXPCXAFRZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nc(C)c(C(=O)O)s1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010691
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.5101    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    1.5701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9624    0.0000 O   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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010691-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -0.7079    1.4703    0.0008 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6592   -0.5805   -0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3498    1.6713   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663   -0.9680    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -1.0109    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554    0.2102    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9522    0.2885    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4657   -2.3371   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3634    0.7312   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452    0.5249   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2832   -3.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0839   -2.4725   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -2.4728    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5889    1.3298    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5873    1.3274   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0367   -0.1322   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079   -0.3308   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1133👍, 0💬