Molecule FYI-1004343

A

Molecule Summary:

ID: FYI-1004343
Names: PYMETROZINE;
InChIKey: QHMTXANCGGJZRX-WUXMJOGZSA-N
SMILES: CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004343 Edit

Molecule Names: PYMETROZINE;

Molecule Structure InChIKey: QHMTXANCGGJZRX-WUXMJOGZSA-N

Molecule Structure SMILES String: CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004343
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  2  0  0  0  0
  5 11  2  0  0  0  0
  6 14  1  0  0  0  0
  6 16  2  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 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004343-3D
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
   -1.3880    2.4360    0.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917    0.1966   -0.3948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3150    1.2248    0.4272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9684    0.0387    0.5205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683    0.2051   -0.6887 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095    0.1093   -1.1651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769   -0.9036   -0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147   -0.9925   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829    1.3632    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0974   -2.3292    0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867   -0.1042    0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553   -0.1516    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9263   -0.4853    1.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    0.1355   -0.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3095   -0.5228    1.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469   -0.2200   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6026   -1.8321   -0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4634   -0.7123   -1.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4581   -2.6273   -0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9430   -2.2780    0.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3847   -3.0745    0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8274    2.0177    0.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2572   -0.3490    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -0.7182    2.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154    0.4039   -1.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9468   -0.7810    1.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9201   -0.2350   -0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  2  0  0  0  0
  5 11  2  0  0  0  0
  6 14  1  0  0  0  0
  6 16  2  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 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2305👍, 0💬