Molecule FYI-1014035

A

Molecule Summary:

ID: FYI-1014035
Names:
InChIKey: NLQVIHPUACLICU-UHFFFAOYSA-N
SMILES: Cc4cc(c1ccccc1)nc(Nc3nc2ccccc2o3)n4

Received at FYIcenter.com on: 2025-02-20

Molecule ID: FYI-1014035 Edit

Molecule Structure InChIKey: NLQVIHPUACLICU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(c1ccccc1)nc(Nc3nc2ccccc2o3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014035
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.9530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    4.0694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    2.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    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  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  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  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
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
 23 12  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014035-3D
FYIcenter.com

 37 40  0     0  0  0  0  0  0999 V2000
    3.1477   -1.5050   -0.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -1.8626    0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365   -0.5074    0.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    0.3440   -0.0203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -2.9100    0.0430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3841   -0.4409    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9308    0.8950    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641   -0.4106   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1589    0.7186   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8949   -0.9695   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649   -1.7520    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2061   -1.5490    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5627   -2.7697    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3533   -0.3925   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7648    1.9831   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1701    1.1407   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    1.9465    0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9421    0.8765   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1659    2.0420   -0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3676   -4.0255    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6989    2.4315   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520    3.2372    0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9900    3.4796   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2876   -1.4980    0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373   -2.8477    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9444   -1.2997   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1732    2.8925   -0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7445    0.3595   -1.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607    1.7906    1.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0263    0.9593   -0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6580    3.0114   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9912   -4.0635    0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0105   -4.0804   -0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7197   -4.9082    0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6601    2.6220   -1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2012    4.0534    1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4012    4.4848   -0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3  6  2  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 20  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  1  0  0  0  0
 16 28  1  0  0  0  0
 17 22  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 940👍, 0💬