Molecule FYI-1000262

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A

Molecule Summary:

ID: FYI-1000262
SMILES: [CH+]=C1CC=C(N2N=CC=N2)C=N1

Received at FYIcenter.com on: 2021-02-12

Molecule ID: FYI-1000262 Edit

Molecule Structure SMILES String: [CH+]=C1CC=C(N2N=CC=N2)C=N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000262
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.8660   -2.6144    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.0068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7305    3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000262-3D
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.0160    0.0813   -0.0496 C   0  3  0  0  0  0  0  0  0  0  0  0
    2.3116    0.1920   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0266    1.5144    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5142    1.3841    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1611    0.2091    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5573    0.0543    0.1045 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124   -1.1516   -0.0598 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4948   -0.8425    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6259    0.5131    0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4311    1.0982    0.3678 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779   -0.9628   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826   -0.9892   -0.2694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0419   -0.0311   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6662    2.0421    0.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    2.1366   -0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0723    2.3034    0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524   -1.6102    0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5128    1.0981    0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961   -1.9265   -0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-03-21, 777👍, 0💬