Molecule FYI-1015483

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A

Molecule Summary:

ID: FYI-1015483
Names:
InChIKey: XZYHRRBOUNJUCU-UHFFFAOYSA-N
SMILES: CCCCNC2CN=C(C(=O)Nc1cccc(O)c1)C=N2

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

Molecule ID: FYI-1015483 Edit

Molecule Structure InChIKey: XZYHRRBOUNJUCU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCNC2CN=C(C(=O)Nc1cccc(O)c1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015483
FYIcenter.com

 21 22  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
   10.9119    4.9000    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
    8.4871    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
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    2.8000    0.0000 O   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 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015483-3D
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
    0.7874   -1.9527    1.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3046   -1.9830    1.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819   -2.2490    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4074   -2.2958    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9747   -2.6100   -1.2135 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4336   -2.6704   -1.1735 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0136   -3.8186   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5557   -5.1591   -0.7472 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5092   -5.2328   -2.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712   -6.5269   -2.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2258   -6.5892   -3.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5309   -7.4768   -1.8656 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0664   -8.7520   -2.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3310   -9.2921   -3.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8254  -10.5393   -3.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0456  -11.2706   -3.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970  -10.7491   -1.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319  -11.4364   -0.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088   -9.5077   -1.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9224   -4.0705   -2.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9135   -2.8360   -2.5487 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014   -1.7562    2.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823   -2.9112    1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211   -1.1664    0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382   -2.7623    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6821   -1.0273    1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567   -1.4664   -0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   -3.2045   -0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6817   -3.0648    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898   -1.3329    0.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7267   -1.8810   -1.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8336   -1.7171   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7268   -3.6838    0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1104   -3.7939   -0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4075   -7.1900   -0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9487   -8.7723   -4.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0454  -10.9292   -4.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500  -12.2323   -3.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173  -12.2523   -1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0797   -9.1369   -0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2538   -4.3439   -3.9427 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
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  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 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$

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2025-09-24, 217👍, 0💬