Molecule FYI-1015459

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A

Molecule Summary:

ID: FYI-1015459
Names:
InChIKey: BFTTXVQQBIAPIY-UHFFFAOYSA-N
SMILES: CCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

Received at FYIcenter.com on: 2025-09-03

Molecule ID: FYI-1015459 Edit

Molecule Structure InChIKey: BFTTXVQQBIAPIY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015459
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   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
    8.4870    3.5000    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
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4248    1.4000    0.0000 C   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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015459-3D
FYIcenter.com

 43 44  0  0  1  0  0  0  0  0999 V2000
    5.7526   -1.0892    1.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298   -0.4983    0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4368    0.1429   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4709    0.6594   -1.2211 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    1.2848   -2.3631 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9224    0.2981   -3.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450   -0.7657   -3.8359 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8795   -0.2879   -4.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364   -1.2067   -4.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8613   -0.6582   -5.2617 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0824   -2.5615   -4.6360 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050   -3.5820   -5.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1349   -3.3299   -5.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -4.3282   -6.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488   -5.6127   -5.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7071   -6.6474   -6.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320   -7.4311   -7.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4604   -5.8944   -4.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883   -4.8886   -4.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    1.1803   -4.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1198    1.9659   -3.1653 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2523   -1.5655    2.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4200   -0.3124    2.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   -1.8457    1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1205    0.2441    1.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0571   -1.2931    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0668   -0.6205   -0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0878    0.9519    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9009    1.3889   -0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8294    2.0582   -2.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404   -0.1734   -2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3838    0.8454   -4.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9077   -2.8148   -4.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761   -2.3544   -6.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6164   -4.0805   -6.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821   -6.1489   -6.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -7.3317   -5.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3596   -6.7700   -8.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -8.1416   -7.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5026   -7.9951   -7.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6003   -6.8954   -4.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2234   -5.1371   -3.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626    1.5580   -4.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

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2025-11-06, 424👍, 0💬