Molecule Editor

Molecule ID: FYI-1006494 Edit

Molecule Structure InChIKey: UNHJAEZGAIPGGH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CSc2nc1nccnc1c(=O)n2CCc3ccccc3)NC4=NCCS4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006494
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7904   14.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498   12.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588   15.6771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9143   15.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7752   13.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6317   12.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  8 35  1  0  0  0  0
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 10 37  1  0  0  0  0
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 20 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006494-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.4706    0.7679   -4.9795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5512    1.4497   -4.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866    1.5448   -3.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266   -0.1298   -3.0464 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027   -0.6842   -4.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3684    0.2581   -5.0684 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0863   -0.0850   -6.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    0.9699   -6.8860 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2025    0.6643   -8.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3280   -0.6386   -8.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8439   -1.6982   -7.8225 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2157   -1.3807   -6.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5673   -2.4357   -5.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5805   -3.5947   -6.2686 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5188   -6.1587   -3.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193   -7.2003   -2.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0257   -7.4848   -1.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9511   -6.7411   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3629    3.2841   -9.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
$$$$