Molecule FYI-1013876

Home > Molecule

A

Molecule Summary:

ID: FYI-1013876
Names:
InChIKey: DECYTTHZIVNSLU-LCYFTJDESA-N
SMILES: O=c2[nH]c1ccccc1c2=Cc4cnc3ccccc3n4

Received at FYIcenter.com on: 2025-02-08

Molecule ID: FYI-1013876 Edit

Molecule Structure InChIKey: DECYTTHZIVNSLU-LCYFTJDESA-N

Molecule Structure SMILES String: O=c2[nH]c1ccccc1c2=Cc4cnc3ccccc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013876
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    8.8675    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0799    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0799    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    6.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    6.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9118    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013876-3D
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.9712    0.9797    0.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981    0.6709    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140    1.5328    0.0784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4905    0.8379    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7570    1.3867    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8366    0.5026    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6258   -0.8888   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285   -1.4240    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632   -0.5429    0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954   -0.7098    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8754   -1.8631    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3322   -1.9622   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136   -1.9340    1.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4570   -2.1050    1.0879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0101   -2.2666   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3845   -2.4440   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9995   -2.6113   -1.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2280   -2.5885   -2.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8457   -2.4177   -2.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2175   -2.2706   -1.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8752   -2.1470   -1.2563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8193    2.5353    0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    2.4590    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8524    0.8927    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850   -1.5568   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1821   -2.4983   -0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3640   -2.8172   -0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6819   -1.7868    2.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9874   -2.4538    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0754   -2.7547   -1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6944   -2.7061   -3.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2411   -2.3983   -3.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  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
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  3  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  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 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1171👍, 0💬