Molecule FYI-1008924

Home > Molecule

A

Molecule Summary:

ID: FYI-1008924
Names:
InChIKey: XELRMPRLCPFTBH-UHFFFAOYSA-N
SMILES: Nc2nc(N)c1ccccc1n2

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

Molecule ID: FYI-1008924 Edit

Molecule Structure InChIKey: XELRMPRLCPFTBH-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2nc(N)c1ccccc1n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008924
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008924-3D
FYIcenter.com

 20 21  0     0  0  0  0  0  0999 V2000
    0.9131    1.4291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645   -0.7391   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6673   -2.7022    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    1.2192    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -0.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346   -1.2867   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185   -1.1424   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4581    1.6231    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8590   -0.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7283    1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794    0.6035   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8497   -2.2213   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.7089    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8444   -0.8010   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6133    1.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -3.0959   -0.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543   -3.0952    0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0809    0.6441    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3133    2.2278    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  2  0  0  0  0
  2  7  2  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 155👍, 0💬