Molecule FYI-1015461

A

Molecule Summary:

ID: FYI-1015461
Names:
InChIKey: NYBZMAKTEAKMBA-UHFFFAOYSA-N
SMILES: CCCCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

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

Molecule ID: FYI-1015461 Edit

Molecule Structure InChIKey: NYBZMAKTEAKMBA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015461
FYIcenter.com

 23 24  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
   14.5491    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  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
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015461-3D
FYIcenter.com

 49 50  0  0  1  0  0  0  0  0999 V2000
    2.4694    3.1703   -0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4995    2.0576   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307    1.9991    0.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0707    0.8964    1.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5191    0.9113    2.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4938   -0.1363    2.9276 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9953   -0.0859    4.3014 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9302   -0.3362    5.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2328   -1.6338    5.2265 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0512   -2.5529    4.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5355   -3.9373    4.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -4.7371    4.0969 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1774   -4.1419    4.6411 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5226   -5.3668    4.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2289   -6.5678    4.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5943   -7.7505    3.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254   -7.7658    3.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5802   -9.0320    3.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -9.9390    4.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952   -6.5837    3.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1372   -5.3921    4.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5367   -2.2830    4.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0380   -1.1105    4.4174 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    3.2213   -1.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    4.1417   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6205    2.9993    0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3221    2.2360   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    1.1010   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1921    1.8378    1.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4764    2.9671    1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9276    1.0557    0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366   -0.0791    0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326    0.7637    3.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9447    1.8938    2.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3020   -0.0293    2.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4718    0.8839    4.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1896    0.4688    5.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4120   -0.3330    6.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -3.3132    4.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940   -6.6247    4.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945   -8.6506    3.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3051   -9.5827    2.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521   -8.7807    2.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8986  -10.2328    4.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6558  -10.8521    3.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109   -9.4477    4.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4228   -6.5753    3.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419   -4.4881    4.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1888   -3.1645    4.7210 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
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 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, 582👍, 0💬