Molecule FYI-1000460

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Molecule Summary:

ID: FYI-1000460
SMILES: CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O

Received at FYIcenter.com on: 2021-07-12

Molecule ID: FYI-1000460 Edit

Molecule Structure SMILES String: CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000460
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.0656    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    4.9224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    6.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    2.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125    1.0403    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.3528    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2720    0.1036    0.0000 O   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000460-3D
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    4.7372    0.2096   -3.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9123   -0.0585   -2.3547 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    0.9725   -2.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5912   -0.1367   -0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671   -1.2106   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9657   -2.6505   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1126   -3.1066   -1.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1082   -4.4724   -1.2474 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9681   -4.9358   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2225   -3.8261   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9962   -4.0699    0.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5634   -5.3935    0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3388   -6.4670    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671   -6.2566   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2280   -3.0132    0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2350   -3.1806    2.2822 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3159   -1.6778    2.5445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0993   -3.3899    1.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2419   -3.3480    3.6888 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    0.2066   -4.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    1.1794   -2.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9796   -0.5705   -3.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1940    1.0091   -3.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8492    0.7468   -2.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5816    1.9694   -2.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2261    0.8422   -0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5281   -0.3213   -0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990   -1.0372   -0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022   -1.0572    0.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9351   -2.5729   -1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8271   -5.0545   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5968   -5.6088    1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862   -7.4838    0.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685   -7.0942   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623   -2.4926    1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1835   -4.2819    3.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$

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2021-10-02, 3216👍, 0💬