Molecule FYI-1015777

A

Molecule Summary:

ID: FYI-1015777
Names:
InChIKey: UWXJJLLHGHAIES-PWSUYJOCSA-N
SMILES: CC(C)(O)C4CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Received at FYIcenter.com on: 2025-10-10

Molecule ID: FYI-1015777 Edit

Molecule Structure InChIKey: UWXJJLLHGHAIES-PWSUYJOCSA-N

Molecule Structure SMILES String: CC(C)(O)C4CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015777
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
   13.1785    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7480    5.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0269    5.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4690    4.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602    3.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9673    3.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2349    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9560    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8234    2.2153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2487    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1023    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7330    5.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8096    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3174    4.0193    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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  6  5  1  0  0  0  0
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  9  8  2  0  0  0  0
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 11 10  2  0  0  0  0
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 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 16 12  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  1  0  0  0
 23 22  1  0  0  0  0
 24 10  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015777-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
    5.2511    0.2966    1.7737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0713   -1.0425    0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5642   -0.3819   -0.3807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    1.3636   -0.1677 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -1.8633   -0.3916 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4824    1.8253   -0.2135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6134   -1.0612   -0.2833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -3.3462   -0.4049 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835   -0.0700   -0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341    0.8155   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1800   -0.6013   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4183    1.5397    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7692   -0.9200    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908    1.5948   -0.1122 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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  3 10  1  0  0  0  0
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  8 49  1  0  0  0  0
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  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
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 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  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
 17 39  1  0  0  0  0
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 24 46  1  0  0  0  0
M  END
$$$$

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2025-10-14, 344👍, 0💬