Molecule FYI-1008422

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A

Molecule Summary:

ID: FYI-1008422
Names:
InChIKey: CSBPQHGADOHBPJ-UHFFFAOYSA-N
SMILES: O=c1[nH]ccc2ncncc12

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

Molecule ID: FYI-1008422 Edit

Molecule Structure InChIKey: CSBPQHGADOHBPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1[nH]ccc2ncncc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008422
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 O   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
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    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  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008422-3D
FYIcenter.com

 16 17  0     0  0  0  0  0  0999 V2000
   -1.6496   -2.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3153    0.0789    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6137    1.3242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3915   -0.9633    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400   -0.4926   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3464    0.8616   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3712   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7326    1.8475   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9987    1.4152    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1056   -1.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5701    0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    2.9029   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3005   -0.1688    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8406    2.0965    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9684   -2.4468    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957    0.7221    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

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2024-07-11, 2256👍, 0💬