Molecule FYI-1014418

Home > Molecule

A

Molecule Summary:

ID: FYI-1014418
Names:
InChIKey: ZPPBIGUDIIGTFR-WUKNDPDISA-N
SMILES: COc1ccccc1/N=N/c2ccc(N)nc2N

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

Molecule ID: FYI-1014418 Edit

Molecule Structure InChIKey: ZPPBIGUDIIGTFR-WUKNDPDISA-N

Molecule Structure SMILES String: COc1ccccc1/N=N/c2ccc(N)nc2N

Download SDF Download SVG Structure in 2D SDF:

FYI-1014418
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   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
    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
    4.8498    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
    4.8498    0.0000    0.0000 N   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
  8  3  1  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 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014418-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.2939   -0.0316    0.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631   -0.0468    0.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1111    1.1745   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7892    2.3460    0.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4239    3.5545    0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3967    3.6063   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7206    2.4499   -1.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0839    1.2221   -1.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    0.1306   -1.8752 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327   -0.6913   -2.1546 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0643   -1.7153   -3.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910   -2.2958   -3.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4366   -3.2864   -4.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556   -3.6973   -4.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1460   -4.6581   -5.7675 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7216   -3.1745   -4.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3776   -2.2098   -3.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -1.7906   -2.3489 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9293   -1.0619    0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5686    0.5554    0.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    0.3341    1.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    2.3448    1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668    4.4505    0.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9077    4.5411   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4864    2.4994   -2.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0592   -1.9614   -3.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6859   -3.7194   -5.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5796   -5.4960   -5.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1303   -4.8518   -5.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2935   -2.1527   -2.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4024   -0.7827   -2.2286 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  8  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  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 511👍, 0💬