Molecule FYI-1008537

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A

Molecule Summary:

ID: FYI-1008537
Names:
InChIKey: LDRYAKALGSPNLY-UHFFFAOYSA-N
SMILES: CCc1nc(=S)nc(N)[nH]1

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

Molecule ID: FYI-1008537 Edit

Molecule Structure InChIKey: LDRYAKALGSPNLY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1nc(=S)nc(N)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008537
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 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
    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 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008537-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    2.1093   -2.4400   -0.1406 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4572    1.1945    0.1893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245   -1.1937    0.2069 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    0.1969   -0.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429    2.5275   -0.1465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3981   -0.1978    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.0567    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1927   -0.2852   -0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675    1.2440   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0851   -0.9896   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.0949    1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7582    0.6547    1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0507    0.6138   -1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -0.3880   -0.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8785   -1.1487   -1.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    2.6134   -0.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8539    3.3453   -0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2598   -1.7811   -0.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1298👍, 0💬