Molecule FYI-1008651

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Molecule Summary:

ID: FYI-1008651
Names:
InChIKey: KWLUCRCCWCBGDT-UHFFFAOYSA-N
SMILES: Nc1ncnc2CCCc12

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

Molecule ID: FYI-1008651 Edit

Molecule Structure InChIKey: KWLUCRCCWCBGDT-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncnc2CCCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008651
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    4.6776    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    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
    1.0403    0.7000    0.0000 N   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008651-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
   -0.2496    1.8571   -0.0044 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687    0.2513    0.0523 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260   -2.0901   -0.0118 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -0.5155    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345   -1.4493   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0765    0.9058   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -0.5172   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    0.8070   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -0.7540    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5516    1.5051    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180   -0.5474    1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442   -0.8189   -0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2571   -2.2952    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543   -1.8091   -1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    1.1174   -1.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906    1.6641    0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682    2.3171    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0578   -2.7924   -0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -2.2329    0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  2  0  0  0  0
  2  9  2  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 163👍, 0💬