Molecule FYI-1004235

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A

Molecule Summary:

ID: FYI-1004235
Names:
InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
SMILES: CN(C)C(=N)/N=C(N)\\N

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004235 Edit

Molecule Structure InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=N)/N=C(N)\N

Download SDF Download SVG Structure in 2D SDF:

FYI-1004235
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004235-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
   -1.5155   -0.3600   -0.0790 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170    0.2154   -0.8185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602    1.8744   -0.1620 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005   -0.4475   -0.3361 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5201   -0.0296    1.4348 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -1.7839   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800    0.0051    0.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260    0.5926   -0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419   -0.0664    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6868   -1.9541   -1.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2427   -2.3145   -0.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7919   -2.2289    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061   -0.8696    0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495    0.6744   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980    0.5078    1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953    2.0901    0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259   -0.6688    0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387   -0.5194   -1.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.2314    1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3007   -0.2678    2.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  2  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1645👍, 0💬