Molecule FYI-1006335

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A

Molecule Summary:

ID: FYI-1006335
Names:
InChIKey: NPZFQUYVMPPKCJ-UHFFFAOYSA-N
SMILES: CC2Cc1ccccc1N2c3ncnc4[nH]cnc34

Received at FYIcenter.com on: 2023-12-10

Molecule ID: FYI-1006335 Edit

Molecule Structure InChIKey: NPZFQUYVMPPKCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2Cc1ccccc1N2c3ncnc4[nH]cnc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006335
FYIcenter.com

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.6765    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8309    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9661    4.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9029    5.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4703    7.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1009    7.3948    0.0000 C   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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
  3 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 19  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006335-3D
FYIcenter.com

 32 35  0     1  0  0  0  0  0999 V2000
    0.4599    0.8315   -0.0190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6855    1.8577    0.4346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869   -1.6720   -0.5181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7829    0.6193    0.2949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080   -1.7125   -0.3353 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711    2.0248   -0.5490 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4638    1.4944   -1.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663    0.2178   -0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4805   -0.1350    0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5221    2.9950    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9358    0.7680    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8008   -0.5760   -0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444   -1.2970    0.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6522   -0.4065   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7544   -1.7492    0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5860   -2.1043    1.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356   -0.4569   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0304    1.7188    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322   -2.4178   -0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    2.5522   -1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3076    2.1833   -1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2872    1.2735   -2.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1378    2.5192    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    3.8603    0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146    3.3645    1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7027   -0.2954   -0.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642   -1.5796    1.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6294   -2.3907    0.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5682   -3.0156    1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -2.0024   -0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5763    2.6133    0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4118   -3.4612   -0.8933 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 11  1  0  0  0  0
  2 11  2  0  0  0  0
  2 18  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  3 30  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  2  0  0  0  0
  5 17  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 334👍, 0💬