Molecule FYI-1008778

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A

Molecule Summary:

ID: FYI-1008778
Names:
InChIKey: QRZKSXMODOEUOH-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cccnc1NC

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

Molecule ID: FYI-1008778 Edit

Molecule Structure InChIKey: QRZKSXMODOEUOH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c1cccnc1NC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008778
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   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  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008778-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
   -2.1589    0.2542    0.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1344   -1.5875   -0.7601 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231   -1.7582    0.1391 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788    0.3111    0.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860    0.2840   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -0.3431    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1748    1.6719   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649   -0.4489   -0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4238   -0.4087    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    2.3802   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5286    1.6593    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4994    0.4848    0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6227   -2.4993    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7425    2.2272   -0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471   -2.2189    0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132   -0.6545   -1.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3956   -1.3352    0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801    3.4623   -0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828    2.1645    0.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4800    0.0053    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3161    0.7536    1.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5298    1.4236   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3452   -2.3274   -0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001   -3.5708    0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864   -2.2368    1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2024-04-29, 519👍, 0💬