Molecule FYI-1015474

A

Molecule Summary:

ID: FYI-1015474
Names:
InChIKey: NINHTPGGKWUWKR-UHFFFAOYSA-N
SMILES: CCCCCCNC2CN=C(C(=O)Nc1ccc(C)cc1)C=N2

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

Molecule ID: FYI-1015474 Edit

Molecule Structure InChIKey: NINHTPGGKWUWKR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC2CN=C(C(=O)Nc1ccc(C)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015474
FYIcenter.com

 23 24  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
   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
    8.4870    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
    8.4870    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
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    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 C   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  1  1  0  0  0  0
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  9  8  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
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  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
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015474-3D
FYIcenter.com

 49 50  0  0  1  0  0  0  0  0999 V2000
    0.6728    2.9705    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1898    2.9368    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853    4.0733   -0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3082    4.0169   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    5.1258   -1.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4688    5.1085   -1.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0527    3.8385   -1.6619 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5122    3.8511   -1.5611 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0619    3.9136   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6893    2.7219    0.7028 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7346    1.6302   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3662    0.3045    0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026   -0.6842   -0.0619 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7639    0.3667    1.8604 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2398   -0.7549    2.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5675   -2.0648    2.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9851   -3.1613    2.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -2.9707    3.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4199   -4.1572    4.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7466   -1.6597    4.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3446   -0.5598    3.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1604    1.6419   -1.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0541    2.6687   -2.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606    2.1494    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5311    3.0138    1.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6388    3.0382   -0.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505    4.1071    0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5871    6.0987   -0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6235    5.0416   -2.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7231    5.3034   -0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8683    5.9350   -1.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8223    3.6742   -2.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9001    4.7211   -2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6935    4.8065    0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561    4.0008   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5865    1.2982    2.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3425   -4.1583    4.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0278   -1.4913    5.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    0.4416    3.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5862    0.6945   -1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 44  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 22 49  1  0  0  0  0
M  END
$$$$

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2025-11-06, 784👍, 0💬