Molecule FYI-1016113

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A

Molecule Summary:

ID: FYI-1016113
Names:
InChIKey: LDBTVAXGKYIFHO-UHFFFAOYSA-N
SMILES: COc2ccc(Cc1cnc(N)nc1N)cc2OC

Received at FYIcenter.com on: 2025-11-20

Molecule ID: FYI-1016113 Edit

Molecule Structure InChIKey: LDBTVAXGKYIFHO-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2ccc(Cc1cnc(N)nc1N)cc2OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016113
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4250    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  4 14  1  0  0  0  0
  2 15  1  0  0  0  0
 11 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016113-3D
FYIcenter.com

 35 36  0     0  0  0  0  0  0999 V2000
   -2.3150    2.1682   -0.2343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3699    0.3598   -0.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721    0.8432    0.2713 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3825   -0.9665   -1.3176 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071    0.9501    2.0498 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    0.7150   -1.4967 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6213   -1.4657    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6962   -0.9799    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129   -0.8535    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979    0.3818    0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274   -1.8873    0.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306    0.8360   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617   -0.0713   -0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9602   -1.4330   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    0.2952    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242   -1.4590   -0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998    0.1704   -0.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109    3.0285    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3702   -0.6321   -0.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6748   -1.3281    2.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881   -2.5557    1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945    1.0692    0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5850   -2.9508    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7145   -2.1943   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9073   -2.3734   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5358    0.3965    2.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.8127    2.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580    2.8137   -0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    3.0166    1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5348    4.0489   -0.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6516   -1.1376   -0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0726   -1.3365   -1.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2638   -0.1129   -1.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4320    1.5678   -1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    0.2463   -2.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  2  0  0  0  0
  3 17  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  2  0  0  0  0
  5 15  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 17  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 16 25  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$

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