Molecule FYI-1008839

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A

Molecule Summary:

ID: FYI-1008839
Names:
InChIKey: AHAIUNAIAHSWPG-UHFFFAOYSA-N
SMILES: CSc1nc(N)cc(N)n1

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

Molecule ID: FYI-1008839 Edit

Molecule Structure InChIKey: AHAIUNAIAHSWPG-UHFFFAOYSA-N

Molecule Structure SMILES String: CSc1nc(N)cc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008839
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 S   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
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008839-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    2.4288   -1.1496   -0.3181 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6737    0.8562   -0.1610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2184   -1.3799   -0.0577 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7957    2.7252   -0.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650   -1.7095    0.1745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860    1.3246   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4507   -0.8430    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972    0.5147    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -0.4859   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4273    0.1473    0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6994    0.9173    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248    3.3132   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009    3.0891    0.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493   -1.6348    1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -1.6461   -0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746    0.3391    1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3873    1.0714   -0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678   -0.1847    0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1260👍, 0💬