Molecule FYI-1008525

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A

Molecule Summary:

ID: FYI-1008525
Names:
InChIKey: GVWALDUEYDNXOO-UHFFFAOYSA-N
SMILES: Cc1cc(=O)nc2[nH]ccn12

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

Molecule ID: FYI-1008525 Edit

Molecule Structure InChIKey: GVWALDUEYDNXOO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(=O)nc2[nH]ccn12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008525
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160    0.1464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.2158    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
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008525-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -3.0258    0.9752   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7221   -0.4380   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681    1.4222    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6461    1.6001    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264   -1.3570   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    0.9261    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899   -0.8966   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.6229   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0218   -2.8258    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6248    0.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4480   -1.5597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396   -1.6033   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8949    2.4290    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5543   -3.1010   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9342   -3.4321    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5545   -3.0998    0.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717    0.9082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  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
 11 18  1  0  0  0  0
M  END
$$$$

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2024-06-03, 864👍, 0💬