Molecule FYI-1013873

A

Molecule Summary:

ID: FYI-1013873
Names:
InChIKey: UCJLUVSJXMKVSE-ZSOIEALJSA-N
SMILES: COC1C=c2c(=CC1)[nH]c(=O)c2=CC4C=c3nccnc3=CC4

Received at FYIcenter.com on: 2025-02-08

Molecule ID: FYI-1013873 Edit

Molecule Structure InChIKey: UCJLUVSJXMKVSE-ZSOIEALJSA-N

Molecule Structure SMILES String: COC1C=c2c(=CC1)[nH]c(=O)c2=CC4C=c3nccnc3=CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013873
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   12.1576    6.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7882    5.8527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3557    4.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    4.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8598    2.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3805    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013873-3D
FYIcenter.com

 40 43  0  0  1  0  0  0  0  0999 V2000
   -0.1343  -12.0770    3.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2874  -12.2168    2.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510  -11.1700    1.8754 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9281   -9.8575    2.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396   -8.6978    2.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041   -8.7169    1.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2267   -9.7646    0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559  -11.1048    0.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3826   -7.4919    1.3967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232   -6.6181    2.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501   -5.4893    2.5546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4541   -7.3496    2.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860   -6.8154    3.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517   -5.8123    4.7438 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0020   -4.6414    5.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 12  1  0  0  0  0
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 23 40  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1178👍, 0💬