Molecule FYI-1016027

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A

Molecule Summary:

ID: FYI-1016027
Names:
InChIKey: WOQJPRMVDZERGY-UHFFFAOYSA-N
SMILES: C2=CC1NN=NN1NC2Sc3ncccn3

Received at FYIcenter.com on: 2025-11-10

Molecule ID: FYI-1016027 Edit

Molecule Structure InChIKey: WOQJPRMVDZERGY-UHFFFAOYSA-N

Molecule Structure SMILES String: C2=CC1NN=NN1NC2Sc3ncccn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016027
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    8.2165    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7916    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    0.2674    0.0000 N   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
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016027-3D
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
   -0.3321   -1.3047   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3365   -0.4147   -0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0934    1.0353    0.1570 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6911    1.8302   -0.8720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    2.6588   -1.4203 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864    2.4276   -0.9078 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2923    1.4196    0.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757    0.5278    0.0103 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133   -0.9089    0.0933 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6932   -1.6062    1.6748 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4259   -1.3178    1.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275   -0.0331    1.4439 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1381    0.1829    1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0494   -0.8273    1.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5367   -2.1035    1.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2322   -2.3780    1.2887 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.3610   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632   -0.7496   -0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713    1.3734    1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    1.3638   -1.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286    0.7914    0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6754   -1.3934   -0.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4377    1.2271    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0996   -0.6310    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803   -2.9704    0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

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2026-04-13, 472👍, 0💬