Molecule FYI-1008854

Home > Molecule

A

Molecule Summary:

ID: FYI-1008854
Names:
InChIKey: YMFGJWGABDOFID-UHFFFAOYSA-N
SMILES: Nc2ncnc(Nc1ccccc1)n2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008854 Edit

Molecule Structure InChIKey: YMFGJWGABDOFID-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ncnc(Nc1ccccc1)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008854
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 14  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008854-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
   -0.2547   -1.1914    0.1639 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2535    0.5851   -0.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0427   -1.6621    0.1975 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    0.1355   -0.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086    2.3213   -0.3489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977   -0.5289    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6137   -1.1948   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6113    0.7915    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0754   -0.7351    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8433   -0.5401   -0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8408    1.4461    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569    0.7803   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449    0.9472   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2829   -1.1546    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201   -2.2049    0.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5383   -2.2237   -0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7810    1.3333    0.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7124   -1.0586   -0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9323    2.4711    0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9147    1.2893   -0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026   -1.8572    0.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368    2.9693   -0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7658    2.6409   -0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  2  0  0  0  0
  3  9  2  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  2  0  0  0  0
  5 13  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 128👍, 0💬