Molecule FYI-1004170

A

Molecule Summary:

ID: FYI-1004170
Names:
InChIKey: YYDUTROASVFJMN-CPNJWEJPSA-N
SMILES: C(=N\\Nc3nc(N1CCOCC1)nc(N2CCOCC2)n3)/c4ccccn4

Received at FYIcenter.com on: 2023-08-20

Molecule ID: FYI-1004170 Edit

Molecule Structure InChIKey: YYDUTROASVFJMN-CPNJWEJPSA-N

Molecule Structure SMILES String: C(=N\Nc3nc(N1CCOCC1)nc(N2CCOCC2)n3)/c4ccccn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004170
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  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
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 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
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 21 11  2  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004170-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
   -6.0500   -2.8046   -0.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560    5.3000    0.1426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5756   -1.4915    0.0613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1061    2.4971   -0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603    0.5299    0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0384    0.4639   -0.0108 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3125   -0.9820    0.0124 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3242   -1.7876    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2312   -0.3010   -0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2006    1.5891   -0.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2277    0.1250   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
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  4 20  1  0  0  0  0
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  7 19  1  0  0  0  0
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  8 44  1  0  0  0  0
  9 22  2  0  0  0  0
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 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
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 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 27  2  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
$$$$

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2023-08-25, 2886👍, 0💬