Molecule FYI-1002424

A

Molecule Summary:

ID: FYI-1002424
Names:
InChIKey: NVSHVYGIYPBTEZ-UHFFFAOYSA-N
SMILES: Cc4[nH]nc(C(=O)Nc3cnc2[nH]c(c1ccccc1)cc2c3)c4C

Received at FYIcenter.com on: 2023-03-17

Molecule ID: FYI-1002424 Edit

Molecule Structure InChIKey: NVSHVYGIYPBTEZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4[nH]nc(C(=O)Nc3cnc2[nH]c(c1ccccc1)cc2c3)c4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002424
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   13.9866    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6955    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6323    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9323    4.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5629    4.1924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3543    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3543    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0228    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0228    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0247    3.1246    0.0000 C   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
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  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 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002424-3D
FYIcenter.com

 42 45  0     0  0  0  0  0  0999 V2000
    2.6407    1.4376    0.0751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1306   -1.3263   -0.0931 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977   -0.8839   -0.0784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249   -2.4934   -0.1768 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610   -0.9456   -0.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0327   -1.1479   -0.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2921   -0.0614   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498   -0.0242   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613   -1.3687   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4331    0.7820    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0994    0.1266   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -1.0049   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9489    0.3278    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5391    1.0754    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5359    0.0902    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167    0.3688    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068   -2.2531   -0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0628    0.2888   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3705    1.5499   -0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8797   -0.5539    0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3720    2.5369    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1261    0.7940    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7231    1.8903   -0.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2323   -0.2137    0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6540    1.0084    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4265    1.8613    0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7272   -2.1395   -0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4606    1.1413    0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8117   -1.7608   -0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9128   -3.1543   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682   -1.7549   -0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    2.8132    1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296    2.9146   -0.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    3.0549    0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6681    2.2529   -0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5838   -1.5080    1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3315    1.3472    1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8115   -0.0590    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559    1.4464   -0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0519    2.8411   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9571   -0.8987    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7070    1.2735    0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 27  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 29  1  0  0  0  0
  4  9  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 31  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  2  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 30  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  2  0  0  0  0
 20 36  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

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2023-04-05, 2706👍, 0💬