Molecule FYI-1001383

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A

Molecule Summary:

ID: FYI-1001383
SMILES: C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)O

Received at FYIcenter.com on: 2022-06-22

Molecule ID: FYI-1001383 Edit

Molecule Structure SMILES String: C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001383
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.6815    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3274    2.4116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1121    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    6.0897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9962    4.1280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3203    0.0000 O   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  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001383-3D
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.9021    0.3798    0.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    1.2594   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3719    0.8483   -1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9801   -0.3596   -1.0429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296   -1.2103   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2992   -0.8748    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682   -2.5239   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2233   -2.9490   -0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866   -4.5646   -0.5706 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6542   -4.5558    0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9486   -3.4561    0.9402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240   -5.6067    1.6708 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919   -5.5142    3.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -6.6836    3.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485   -6.6265    5.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743   -5.3953    5.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9476   -4.2200    5.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -4.2927    3.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7471   -2.9145    5.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0737   -2.7954    6.7808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3994   -1.8796    5.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305    0.6605    1.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0196    2.2407   -0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6671    1.5043   -1.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590   -1.5763    1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6495   -2.4069   -1.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212   -6.4444    1.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4248   -7.6593    3.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9766   -7.5448    5.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701   -5.3532    6.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1498   -3.3723    3.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278   -2.1123    4.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  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
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
$$$$

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2022-07-26, 447👍, 0💬