Molecule FYI-1007216

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A

Molecule Summary:

ID: FYI-1007216
Names:
InChIKey: UAPOGXASPGMETM-UHFFFAOYSA-N
SMILES: C1=CC3=C2N(C1)CCN2CC=N3

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007216 Edit

Molecule Structure InChIKey: UAPOGXASPGMETM-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=CC3=C2N(C1)CCN2CC=N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007216
FYIcenter.com

 12 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9539    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
  3 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007216-3D
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.3510   -0.7109    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957   -1.4135    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -0.7182    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359    0.6232    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007    1.3790    0.0444 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.8114   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    2.8005   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8058    2.8174   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490    1.4051   -0.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4582    0.8107    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3395   -0.7304   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2423   -1.4484   -0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957   -1.2441    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823   -2.4960    0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0226    1.1563    0.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303    1.1281   -0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    3.2453   -0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1696    3.3481    0.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836    3.3155   -0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878    3.3289    0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0622    1.1221   -0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9864    1.0895    0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2976   -1.2763   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1298👍, 0💬