Molecule FYI-1013843

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A

Molecule Summary:

ID: FYI-1013843
Names:
InChIKey: XMVZYYWYVDLPRV-UHFFFAOYSA-N
SMILES: O=c5c1ccccc1nc4c3c2CCCCc2sc3NCn45

Received at FYIcenter.com on: 2025-02-03

Molecule ID: FYI-1013843 Edit

Molecule Structure InChIKey: XMVZYYWYVDLPRV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c5c1ccccc1nc4c3c2CCCCc2sc3NCn45

Download SDF Download SVG Structure in 2D SDF:

FYI-1013843
FYIcenter.com

 22 26  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    7.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7188    9.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1110    9.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    8.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8576    7.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    8.3694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   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  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  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
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18  5  2  0  0  0  0
 19  4  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
 22  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013843-3D
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
    1.8523   -0.1024   -1.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9975    0.1950   -0.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334   -0.8335   -0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6661   -2.1878   -0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068   -3.0640    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6826   -2.5795    0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0870   -1.2532    0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883   -0.3741   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6991    0.9512   -0.5036 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    1.8244   -0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9904    3.2746   -0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752    4.1788   -0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1129    5.6561   -1.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4973    6.3038   -0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6128    5.4748   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2439    4.1445    0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982    3.8671    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5761    4.0025    1.6892 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2844    3.7788    0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    3.4659    0.6881 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.5167   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3993    1.4824   -0.5867 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7084   -2.5310   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206   -4.1070    0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2809   -3.2369    1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0061   -0.8926    0.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121    6.1908   -0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7474    5.8466   -2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3565    7.2237   -0.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8738    6.6674   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3826    5.2713   -0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1226    6.1157    0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6077    4.1084    1.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7707    3.3440   -0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110    3.2800    1.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1742    3.0318   -1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113    2.0688    0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

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