Molecule FYI-1003319

A

Molecule Summary:

ID: FYI-1003319
Names:
InChIKey: HNYDBQGLNHGEHA-UHFFFAOYSA-N
SMILES: Cc2nc(c1ccc(O)c(C#N)c1)ccc2c3ccc(O)c(C#N)c3

Received at FYIcenter.com on: 2023-06-01

Molecule ID: FYI-1003319 Edit

Molecule Structure InChIKey: HNYDBQGLNHGEHA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2nc(c1ccc(O)c(C#N)c1)ccc2c3ccc(O)c(C#N)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003319
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   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    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 N   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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  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  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  3  0  0  0  0
 18 15  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21  6  1  0  0  0  0
 22  5  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24  3  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003319-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.4285    0.0773   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9336   -0.0500   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3007    1.1578   -0.0411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0490    1.2093   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6264    2.5677    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706    3.6445   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    4.9518   -0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6271    5.2052    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0974    6.4830    0.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138    4.1617    0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5110    4.3976    1.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4843    4.5307    2.1761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    2.8531    0.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8044    0.0483    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1522   -1.1870    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519   -1.2821    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9086   -2.6192    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1041   -2.8851    0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7908   -4.0959    0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454   -5.1089   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   -6.2808   -0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100   -4.9306   -0.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3937   -5.9796   -1.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533   -6.8023   -2.2124 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601   -3.6884   -0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7158    1.1115   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -0.5510   -0.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919   -0.1677    0.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462    3.4640   -1.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9182    5.7494   -1.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586    7.0994   -0.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3450    2.0562    1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890    0.0789    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -2.0814    0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5376   -2.1456    1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7429   -4.2228    1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8159   -6.2001    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871   -3.5572   -1.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  3  0  0  0  0
 25 38  1  0  0  0  0
M  END
$$$$

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2023-06-19, 2077👍, 0💬