Molecule FYI-1008739

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A

Molecule Summary:

ID: FYI-1008739
Names:
InChIKey: HPJTZWRLBWJJFN-UHFFFAOYSA-N
SMILES: CC(C)c1csc2ncnc(N)c12

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008739 Edit

Molecule Structure InChIKey: HPJTZWRLBWJJFN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c1csc2ncnc(N)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008739
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.6407    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5843    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    1.9135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.6630    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  4  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008739-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    0.3481    2.5415    0.0007 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    0.9987   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2627   -1.4121   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1432   -2.4782    0.0015 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2256   -0.5193   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0509    0.3879    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3141   -0.0399    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1009   -0.3599   -1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1022   -0.3605    1.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1737    1.7604    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    1.0507    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171   -1.3019   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737   -0.2675   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9613   -1.5657   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5479    0.6386   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161   -1.0918   -1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062   -0.5143   -2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5436    0.6401    1.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093   -0.5250    2.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9211   -1.0881    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798    2.3504    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520   -0.3831   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -2.5276    0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -3.3405   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1136👍, 0💬