Molecule FYI-1015446

A

Molecule Summary:

ID: FYI-1015446
Names:
InChIKey: VFUBLCKEFUCLJJ-UHFFFAOYSA-N
SMILES: CCCCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015446 Edit

Molecule Structure InChIKey: VFUBLCKEFUCLJJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015446
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
   14.5492    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
    9.6995    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
    7.2745    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
    9.6995    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    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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
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 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 21  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015446-3D
FYIcenter.com

 50 51  0  0  1  0  0  0  0  0999 V2000
    3.8487    5.4148   -0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6181    4.1064   -0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1389    3.8654    0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149    2.5503    1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4142    2.3447    2.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1972    1.0424    2.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6296    0.9196    4.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3609   -0.3177    4.3945 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -0.3887    5.7679 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7558   -0.4672    6.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8522   -1.6277    6.6569 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5104   -2.6730    6.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7687   -3.9525    5.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4661   -4.9412    5.7348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3933   -3.8623    5.8619 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -4.9233    5.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340   -6.2533    5.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -7.2694    5.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -6.9611    4.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6089   -8.2175    4.4462 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2516   -5.6474    4.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538   -4.6396    5.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7237   -3.3434    5.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0185   -2.6524    6.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089   -1.5793    5.8669 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4840    5.5718   -1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4861    6.2635   -0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853    5.4083    0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4562    4.1318   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2969    3.8481    1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7885    4.6975    1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7643    2.5652    0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2683    1.7141    0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5571    2.3448    3.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0523    3.1898    2.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0732    1.0392    2.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5696    0.1880    2.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7284    0.9476    4.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1747   -0.3676    3.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9778   -2.9368    5.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9613   -6.5461    5.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3985   -8.2919    5.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062   -5.4262    4.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643   -3.3118    5.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5144   -3.6315    6.1657 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
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  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 45  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 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$

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2025-11-06, 213👍, 0💬