Molecule FYI-1015481

A

Molecule Summary:

ID: FYI-1015481
Names:
InChIKey: YESYXENTBOGXTB-UHFFFAOYSA-N
SMILES: CCCCCCCCNC2CN=C(C(=O)Nc1ccc(O)cc1)C=N2

Received at FYIcenter.com on: 2025-09-04

Molecule ID: FYI-1015481 Edit

Molecule Structure InChIKey: YESYXENTBOGXTB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNC2CN=C(C(=O)Nc1ccc(O)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015481
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
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 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 16 13  1  0  0  0  0
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 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015481-3D
FYIcenter.com

 53 54  0  0  1  0  0  0  0  0999 V2000
    0.8206    7.3882    0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386    7.4180    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    6.1448    0.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4235    6.1651    1.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9610    4.8861    1.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826    4.8986    1.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0130    3.6298    2.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5369    3.5674    2.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1204    4.7111    3.0166 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5753    4.7183    2.9386 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1407    4.9128    1.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712    6.1841    0.8776 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6490    7.1542    1.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2309    8.5467    1.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4955    9.4392    2.1287 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5733    8.6673    0.1169 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    9.8877   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5063   11.1356    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   12.3278   -0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0616   12.2789   -1.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   13.4273   -1.9661 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6641   11.0632   -1.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1934    9.8656   -1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0884    6.9446    3.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0694    5.8011    3.7907 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4262    8.3043   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    7.3065    1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4522    6.5359   -0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6821    8.2925    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7092    7.5263   -0.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505    5.2712    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    6.0380    2.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7782    7.0357    1.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074    6.2646   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    4.0159    1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704    4.7851    2.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8236    5.7868    2.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8770    4.9758    0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6272    2.7523    1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8459    3.5477    1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8670    4.6858    4.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8533    4.0769    0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2381    4.9182    1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3514    7.7976   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2441   11.2234    0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191   13.2691    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8864   14.1812   -1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9363   11.0435   -2.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8552    8.9246   -1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4448    7.8472    3.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
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 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
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 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
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 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  2  0  0  0  0
 24 53  1  0  0  0  0
M  END
$$$$

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2025-09-24, 1022👍, 0💬