Molecule FYI-1008572

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A

Molecule Summary:

ID: FYI-1008572
Names:
InChIKey: PXYQQKWEFDEUIX-UHFFFAOYSA-N
SMILES: CSc1nc(=O)cc(N)[nH]1

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

Molecule ID: FYI-1008572 Edit

Molecule Structure InChIKey: PXYQQKWEFDEUIX-UHFFFAOYSA-N

Molecule Structure SMILES String: CSc1nc(=O)cc(N)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008572
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 S   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 O   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
    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 N   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  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008572-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    2.5100    0.8080    0.5871 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277   -2.5805   -0.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0755    1.2689    0.1467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6152   -0.9919    0.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506    1.9433   -0.2337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    0.9658   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8606    0.2826    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7350   -0.3402   -0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6891   -1.4015    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955    0.0455   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    2.2507    0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7535   -0.6719   -0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3186    1.6971   -0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0688    2.9139   -0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    0.3796   -1.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2397   -1.0446   -0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3488    0.3362   -0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1410👍, 0💬