Molecule FYI-1001213

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A

Molecule Summary:

ID: FYI-1001213
SMILES: C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl

Received at FYIcenter.com on: 2022-03-18

Molecule ID: FYI-1001213 Edit

Molecule Structure SMILES String: C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001213
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.6808    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.6386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2472    2.4999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    2.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5956    0.9210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6823    1.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2419    2.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001213-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.6684    0.9195    0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205    1.0818   -0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1819   -0.2541   -0.5226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2776   -1.0630   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589   -0.5068    0.4526 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4551   -2.3983    0.0828 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5021   -3.4403   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2480   -4.6398    0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1353   -5.7220    0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073   -5.6355   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5844   -4.4725   -0.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6922   -3.3889   -0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1131   -2.0867   -1.8295 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879   -4.8242    1.6568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4021    1.2322    1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510    1.4705    0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1864    1.3638   -1.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2219    1.8420   -0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2676   -0.9588    1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -2.6999   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -6.6323    1.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978   -6.4752   -0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4943   -4.4189   -1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  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
 12 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 492👍, 0💬