Molecule FYI-1008615

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A

Molecule Summary:

ID: FYI-1008615
Names:
InChIKey: BIPMZEADPPHPSP-UHFFFAOYSA-N
SMILES: CSc1ncnc2sccc12

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

Molecule ID: FYI-1008615 Edit

Molecule Structure InChIKey: BIPMZEADPPHPSP-UHFFFAOYSA-N

Molecule Structure SMILES String: CSc1ncnc2sccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008615
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    5.8901    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0367    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    0.7000    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  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008615-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
   -2.8471    0.1188   -0.1607 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2389   -1.4128    0.3110 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8779    1.9100   -0.0495 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124    1.1431    0.1647 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3431   -0.4662    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2187    0.6065   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147   -0.1473    0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534   -1.7078    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4153   -1.5342   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4520    2.0819    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   -0.5920   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5974   -2.6876    0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761   -2.3009   -0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    3.1100    0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720    0.2687    0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3694   -0.2675   -1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -1.2979   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 187👍, 0💬