Molecule FYI-1006406

A

Molecule Summary:

ID: FYI-1006406
Names:
InChIKey: GLQIFUKRFSSYKX-UHFFFAOYSA-N
SMILES: CCOc4cccc(c3nc(C(N)=O)c2[nH]c(=O)n(c1cccc(C)c1)c2n3)c4O

Received at FYIcenter.com on: 2023-12-15

Molecule ID: FYI-1006406 Edit

Molecule Structure InChIKey: GLQIFUKRFSSYKX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc4cccc(c3nc(C(N)=O)c2[nH]c(=O)n(c1cccc(C)c1)c2n3)c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006406
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.2107    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    9.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5734    9.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3610    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700    1.3588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6775    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7858    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15  9  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  2  0  0  0  0
 29  8  2  0  0  0  0
 29  4  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006406-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
    4.9456   -0.0179    0.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559    0.7396    0.8924 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7009   -4.4541    0.6081 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3227    3.9052    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4079    4.5894   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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