Molecule FYI-1015659

A

Molecule Summary:

ID: FYI-1015659
Names:
InChIKey: OBPRSMASZKCBNO-UHFFFAOYSA-N
SMILES: Cc1cc(/C(N)=N/OC(=O)C(C)(C)C)cc(/C(N)=N/OC(=O)C(C)(C)C)c1

Received at FYIcenter.com on: 2025-09-23

Molecule ID: FYI-1015659 Edit

Molecule Structure InChIKey: OBPRSMASZKCBNO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(/C(N)=N/OC(=O)C(C)(C)C)cc(/C(N)=N/OC(=O)C(C)(C)C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015659
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
    9.8871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    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
    1.4000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
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 10  9  1  0  0  0  0
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 18 13  2  0  0  0  0
 19  8  2  0  0  0  0
 19  3  1  0  0  0  0
 20  2  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015659-3D
FYIcenter.com

 55 55  0     0  0  0  0  0  0999 V2000
    3.7843   -0.4667    0.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7991   -0.4448   -0.1896 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862   -2.1830   -1.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0205   -2.1691    1.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5506    0.1222   -0.1220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585    0.1299    0.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4107    1.8691    1.2498 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989    1.8856   -1.2536 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1974   -2.3593   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2342   -2.3205    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3496   -1.4665   -0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2747   -3.7122   -0.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3254   -2.5529    1.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3652   -2.5139   -1.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3757   -1.4138    0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3270   -3.6718    0.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8575   -1.6867   -0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8864   -1.6633    0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763    2.0467    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1620    2.0380   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    4.1235    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218    1.3338    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    3.4194    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0457    5.6152    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2256   -4.2170   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  2  6  1  0  0  0  0
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  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5 25  2  3  0  0  0
  6 26  2  3  0  0  0
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  7 53  1  0  0  0  0
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 16 45  1  0  0  0  0
 19 22  2  0  0  0  0
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 24 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
$$$$

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2025-09-24, 613👍, 0💬