Molecule FYI-1015460

A

Molecule Summary:

ID: FYI-1015460
Names:
InChIKey: LVWNIRIXFILAMO-UHFFFAOYSA-N
SMILES: CCCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

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

Molecule ID: FYI-1015460 Edit

Molecule Structure InChIKey: LVWNIRIXFILAMO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015460
FYIcenter.com

 22 23  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
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    8.4871    3.5000    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
    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  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  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
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015460-3D
FYIcenter.com

 46 47  0  0  1  0  0  0  0  0999 V2000
    0.7953    1.0724    3.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    1.2061    3.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928    2.5587    2.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070    2.7280    3.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0215    1.6934    2.2732 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682    1.7687    2.4429 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9667    1.4936    3.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5261    0.1613    4.3882 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5933   -0.7382    3.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810   -2.1645    3.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4512   -2.9918    2.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -2.3629    4.9386 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0335   -3.6084    5.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4258   -4.8227    4.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717   -6.0325    5.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -6.0599    6.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619   -7.3688    6.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174   -8.0983    7.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5487   -4.8551    6.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1145   -3.6382    6.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1102   -0.4028    2.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750    0.7800    1.5442 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763    0.0900    3.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717    1.1725    2.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873    1.8371    3.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7697    0.3872    2.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4960    2.6813    1.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5467    2.6827    4.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5940    3.7208    2.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286    1.7839    1.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8289    2.7560    2.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6001    2.2632    4.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0627    1.5384    3.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2925   -1.5217    5.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1753   -4.8696    4.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933   -6.9517    4.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010   -8.0133    5.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2255   -7.1934    6.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0487   -8.3148    7.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253   -9.0506    7.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487   -7.5071    8.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8094   -4.8523    7.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7951   -2.7204    6.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5382   -1.2512    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  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 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 39  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
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  2  0  0  0  0
 21 46  1  0  0  0  0
M  END
$$$$

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2025-11-06, 216👍, 0💬