Molecule FYI-1008376

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Molecule Summary:

ID: FYI-1008376
Names:
InChIKey: PGQTYSBSFWJGDH-UHFFFAOYSA-N
SMILES: Cc1nc[nH]c(=O)c1C#N

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

Molecule ID: FYI-1008376 Edit

Molecule Structure InChIKey: PGQTYSBSFWJGDH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nc[nH]c(=O)c1C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008376
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   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
    2.4249    5.6000    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
    0.0000    2.8000    0.0000 O   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  3  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008376-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -0.1083    2.3560    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030   -1.2836   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7904    1.0655   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0317    0.3102   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   -1.2058    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    0.0071    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5991   -2.5226    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140    1.2435    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488   -0.1443   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8796    0.1740   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -2.2039   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3246   -3.1036    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255   -3.1033   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6877   -2.4201    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332   -0.3350   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  3  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1044👍, 0💬