Molecule FYI-1014037

A

Molecule Summary:

ID: FYI-1014037
Names:
InChIKey: RTJYWYDYNMKREW-UHFFFAOYSA-N
SMILES: Clc4cc(c1ccccc1)nc(Nc3nc2ccccc2[nH]3)n4

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

Molecule ID: FYI-1014037 Edit

Molecule Structure InChIKey: RTJYWYDYNMKREW-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cc(c1ccccc1)nc(Nc3nc2ccccc2[nH]3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014037
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.9530    0.0000    0.0000 Cl  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 N   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-1014037-3D
FYIcenter.com

 35 38  0     0  0  0  0  0  0999 V2000
    3.5297   -4.1847   -0.0750 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1430   -1.5245    0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8632    0.2927    0.0208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8388   -1.8922   -0.0114 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493   -0.4991   -0.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810   -2.8977   -0.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0128   -0.4645    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1896    0.6583    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8718   -1.0214    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4062   -0.3935    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7743    1.9360    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952   -0.4062   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9160    0.9399   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036   -1.7526   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9711    0.8861    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1715    2.0313    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2391   -1.4979   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1501    1.2100    0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1882    1.9775   -0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6199   -2.7310   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537    2.5108    0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919    3.2781   -0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248    3.5447    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966   -2.5034    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0246   -1.2838    0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0628   -2.8868   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1618    2.8319    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0533    0.9902    0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6398    3.0122    0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3192   -1.4232   -0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7394    0.4405    1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291    1.8027   -1.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6109    2.7200    1.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1255    4.0833   -1.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    4.5576    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 26  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  2  0  0  0  0
  6 14  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  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
 17 20  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 19 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
$$$$

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2025-03-12, 559👍, 0💬