Molecule FYI-1014417

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A

Molecule Summary:

ID: FYI-1014417
Names:
InChIKey: ZYFQLPWMMMZNRY-WUKNDPDISA-N
SMILES: COc2ccc(/N=N/c1ccc(N)nc1N)cc2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014417 Edit

Molecule Structure InChIKey: ZYFQLPWMMMZNRY-WUKNDPDISA-N

Molecule Structure SMILES String: COc2ccc(/N=N/c1ccc(N)nc1N)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014417
FYIcenter.com

 18 19  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
   10.9120    4.9000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   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
    2.4249    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   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
  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
  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
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 18  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014417-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.1549   -0.1705    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658    0.0087    0.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0773    1.0051   -0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    1.8263   -1.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900    2.8147   -2.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3741    3.0078   -2.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0752    3.9741   -2.9814 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4114    5.0201   -3.1498 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417    6.0171   -3.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292    6.1554   -3.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1849    7.1817   -4.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343    8.0696   -5.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0635    9.1037   -5.8416 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1015    7.9668   -5.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4753    6.9559   -4.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0821    6.9359   -4.7919 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1019    2.1709   -1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4595    1.1801   -0.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8948   -0.9693    0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8302   -0.4824   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6306    0.7363    0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2712    1.7255   -1.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002    3.4411   -2.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1040    5.4661   -3.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2612    7.2822   -4.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6580    9.6519   -5.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3332    9.6689   -6.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8404    7.6369   -5.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    6.0065   -5.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1791    2.2920   -1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0412    0.5421    0.0305 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
  3  4  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END
$$$$

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2025-04-26, 742👍, 0💬