Molecule FYI-1003977

A

Molecule Summary:

ID: FYI-1003977
Names:
InChIKey: SYSRCWZVNAXEAR-UHFFFAOYSA-N
SMILES: CCN(CC)c4ccc(CSc3nnc(c2ccc1ncccc1c2)o3)cc4

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

Molecule ID: FYI-1003977 Edit

Molecule Structure InChIKey: SYSRCWZVNAXEAR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)c4ccc(CSc3nnc(c2ccc1ncccc1c2)o3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003977
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
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    1.2124   12.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 25  2  0  0  0  0
 26 17  1  0  0  0  0
 27  9  1  0  0  0  0
 28 27  2  0  0  0  0
 28  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003977-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.4206    0.5045   -0.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364    0.0636    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541   -1.3326   -0.1689 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109   -2.4363    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022   -3.0215    1.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4211   -1.6171    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2499   -0.8534    0.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6258   -1.1108    0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2336   -2.1477    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1288   -3.5149    1.7393 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9597   -3.5765    1.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2581   -2.9328    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1371   -1.3609    0.8786 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3826   -0.2218    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4031    0.4879   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6 28  2  0  0  0  0
  7  8  2  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
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 25 48  1  0  0  0  0
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 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 535👍, 0💬