Molecule FYI-1016411

A

Molecule Summary:

ID: FYI-1016411
Names:
InChIKey: OEIUKGQQQYOOMK-VHEBQXMUSA-N
SMILES: Cc3cccc(/N=N/c2c(C)n(C)n(c1ccccc1)c2=O)n3=O

Received at FYIcenter.com on: 2025-12-24

Molecule ID: FYI-1016411 Edit

Molecule Structure InChIKey: OEIUKGQQQYOOMK-VHEBQXMUSA-N

Molecule Structure SMILES String: Cc3cccc(/N=N/c2c(C)n(C)n(c1ccccc1)c2=O)n3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016411
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.6703    4.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    4.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    5.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682    6.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    2.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1474    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    8.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    9.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8939    9.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    8.2950    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
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  9  8  1  0  0  0  0
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 13 12  1  0  0  0  0
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 16 15  2  0  0  0  0
 17  6  2  0  0  0  0
 17  2  1  0  0  0  0
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 19  3  1  0  0  0  0
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 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016411-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.8958    1.7537    1.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5614    0.5230    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631    0.5365   -0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756   -0.6178   -1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9829   -1.7873   -0.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9978   -1.8154    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6886   -3.0002    0.3762 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0269   -3.6708   -0.6233 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6460   -4.8669   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4915   -5.2837    0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0492   -4.4475    1.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8759   -6.6309    0.4480 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2231   -7.0851    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3389   -7.0568   -0.8021 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5061   -8.3577   -1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   -8.5637   -2.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6521   -9.8306   -3.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9264  -10.9189   -2.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9727  -10.7415   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7570   -9.4730   -0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5656   -6.0126   -1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9146   -5.9819   -2.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1991   -0.6385    1.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8874    2.1239    1.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8711    1.5521    2.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4936   -0.6113   -1.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5158   -3.5092    1.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0909   -4.1891    1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0194   -4.9958    2.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7241   -6.3980    1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -7.1942   -0.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741   -8.0388    1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7411   -9.3863    0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-01-24, 459👍, 0💬