Molecule FYI-1015393

A

Molecule Summary:

ID: FYI-1015393
Names:
InChIKey: MOHBLNGEHNATOC-UHFFFAOYSA-N
SMILES: CC4CCCCc2c(ccc3sc1cc(N)c(=N)c1c23)C4

Received at FYIcenter.com on: 2025-08-26

Molecule ID: FYI-1015393 Edit

Molecule Structure InChIKey: MOHBLNGEHNATOC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4CCCCc2c(ccc3sc1cc(N)c(=N)c1c23)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015393
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.0492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819    1.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6956    3.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589    4.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1915    6.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608    6.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4975    5.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0649    3.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071    7.7100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    7.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    9.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184   10.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    9.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3607    4.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470    2.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1838    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
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 17 15  2  0  0  0  0
 17 11  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015393-3D
FYIcenter.com

 41 44  0  0  1  0  0  0  0  0999 V2000
    0.3855    0.1401    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6896    0.1157   -0.1774 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2470   -0.3459   -1.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3737   -0.3729   -2.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5874   -0.6408   -1.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0438   -0.5812   -1.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4157   -0.6593   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4098   -0.6807    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8893   -0.8854    1.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2116   -1.2138    2.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1143   -1.2991    1.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6914   -2.0045    1.2666 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0589   -1.4926   -0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2968   -1.4651   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2432   -0.4576   -1.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2964    0.2411   -2.3610 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7581   -0.1123   -1.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2442    0.5734   -2.9512 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0774   -0.7493   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8137   -0.8745   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946   -0.7584    0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339    0.8402    0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5623    0.4624    1.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0845   -0.8500    0.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459    1.1525   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    0.2855   -2.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8354   -1.3701   -1.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058    0.5982   -3.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508   -1.1472   -3.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487   -1.6226   -1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    0.2472   -1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3688    0.3672   -2.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4664   -1.4258   -2.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2121   -0.9036    2.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5208   -1.4654    3.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1592   -2.0492   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0731    0.2826   -1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6607   -0.2779   -3.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2373    0.6224   -2.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5272   -0.5600    1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -1.8221    0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 903👍, 0💬