Molecule FYI-1015487

A

Molecule Summary:

ID: FYI-1015487
Names:
InChIKey: SBOQJCUCGQZRDS-UHFFFAOYSA-N
SMILES: CCCCCCCNC2CN=C(C(=O)Nc1cccc(O)c1)C=N2

Received at FYIcenter.com on: 2025-09-05

Molecule ID: FYI-1015487 Edit

Molecule Structure InChIKey: SBOQJCUCGQZRDS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCNC2CN=C(C(=O)Nc1cccc(O)c1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015487
FYIcenter.com

 24 25  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
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    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
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    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
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    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
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    2.4248    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
    2.4248    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    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  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  1  1  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015487-3D
FYIcenter.com

 50 51  0  0  1  0  0  0  0  0999 V2000
    1.2077   -0.7153    0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6426   -0.4442    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    0.7959    1.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6287    1.0822    0.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1548    2.3278    1.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891    2.6210    0.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1322    3.8681    1.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4967    4.0515    1.1909 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2138    5.1616    1.8021 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3458    5.0952    3.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8818    3.7752    3.7884 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7884    3.3426    2.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3715    1.9615    3.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2664    1.6464    2.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8031    1.2006    4.1445 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1749   -0.1238    4.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3678   -0.6955    3.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6816   -2.0300    4.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8100   -2.8167    4.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6432   -2.2408    5.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7600   -2.9883    6.2212 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3284   -0.9029    5.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2785    4.1956    1.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5664    5.1202    1.2318 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8245   -1.6054    0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604    0.1297    0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1418   -0.8824    1.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841   -0.3074   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2628   -1.3150    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1406    0.6548    2.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606    1.6620    0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6825    1.2261   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638    0.2212    0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    2.1807    2.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179    3.1881    1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6304    2.7515   -0.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2218    1.7569    1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0947    3.7085    2.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5188    4.7425    1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5216    4.1900    0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3704    5.2519    3.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0120    5.8897    3.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6054   -2.4482    3.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0552   -3.8561    5.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0729   -3.9080    6.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3964   -0.5026    5.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3053    3.9857    1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  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
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  2  0  0  0  0
 23 50  1  0  0  0  0
M  END
$$$$

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2025-09-24, 964👍, 0💬