Molecule FYI-1015647

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A

Molecule Summary:

ID: FYI-1015647
Names:
InChIKey: CYVAACMUYHRDTK-UHFFFAOYSA-N
SMILES: CCCCCCCCNC(=O)C1=NC=CNC1N

Received at FYIcenter.com on: 2025-09-21

Molecule ID: FYI-1015647 Edit

Molecule Structure InChIKey: CYVAACMUYHRDTK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNC(=O)C1=NC=CNC1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1015647
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
   13.3369    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015647-3D
FYIcenter.com

 42 42  0  0  1  0  0  0  0  0999 V2000
    0.9968   -0.0641    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162   -0.0579    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498    0.8220   -1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    0.8336   -1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004    1.7156   -2.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6282    1.7327   -2.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1567    2.6173   -3.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6861    2.6238   -3.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2115    3.4692   -4.4342 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859    4.8045   -4.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3090    5.3612   -3.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0799    5.6026   -5.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8267    4.9705   -6.2294 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4554    5.7662   -7.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3585    7.1058   -7.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5864    7.8080   -6.3352 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7712    7.1316   -5.3427 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3448    7.3275   -5.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247   -0.6969    0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6023   -0.4511   -0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6044    0.9469    0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829   -1.0838   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8850    0.3074    1.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    1.8458   -0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6735    0.4550   -2.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9515   -0.1898   -1.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537    1.2029   -0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7219    2.7372   -2.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7179    1.3448   -3.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0017    0.7090   -2.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    2.0984   -1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7786    3.6395   -3.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7727    2.2542   -4.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0706    1.6107   -3.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0661    2.9868   -2.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4005    3.0959   -5.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1002    5.2501   -7.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9031    7.6972   -7.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5748    8.8181   -6.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0466    7.5201   -4.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1623    6.9977   -6.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1906    8.3317   -5.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 568👍, 0💬