Molecule FYI-1009405

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A

Molecule Summary:

ID: FYI-1009405
Names:
InChIKey: VBCGBYPZFSQJFU-UHFFFAOYSA-N
SMILES: Cn1cncc1c3cn(CC2C=CC=CN2)nn3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009405 Edit

Molecule Structure InChIKey: VBCGBYPZFSQJFU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1cncc1c3cn(CC2C=CC=CN2)nn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009405
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    9.1037    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    1.3695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6737    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5274    3.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1579    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    3.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9962    1.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    1.0511    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
  6  2  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 18  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009405-3D
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
   -2.2957   -1.2994   -1.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -0.6181   -0.9410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0620    0.7370   -0.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0733    1.0836   -0.2188 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -0.0994   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0062   -1.1746   -0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -2.6012   -0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386   -3.0754    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551   -4.4261    0.2293 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968   -5.3563    1.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -6.5819    0.3265 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7071   -6.2013   -0.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0275   -6.4031   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5254   -7.0378    0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508   -7.5675    1.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2898   -7.4505    1.3462 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1936   -4.7792   -0.3531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4195   -3.6599   -0.7271 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188   -0.5900   -1.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6127   -2.0939   -0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0036   -1.7036   -2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455    1.4213   -1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -0.1085    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057   -2.5903    0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4135   -5.6724    1.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -4.7914    1.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8710   -7.1505   -0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -5.7612   -1.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396   -6.1348   -1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5955   -7.1358    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9676   -8.1282    2.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -8.2486    1.6573 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
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 987👍, 0💬