Molecule FYI-1001707

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A

Molecule Summary:

ID: FYI-1001707
SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

Received at FYIcenter.com on: 2022-11-16

Molecule ID: FYI-1001707 Edit

Molecule Structure SMILES String: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001707
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.5302    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177    5.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    4.9159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775    3.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0808    0.0000 C   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001707-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.2461   -1.1348    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2659   -0.0788    0.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5219    1.2664   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    1.9737   -0.0097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4148    1.0419   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089   -0.2274   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854   -1.3849    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5421   -2.5242    0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783   -1.0786    0.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   -2.1769    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8293    0.2192    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526    0.3880    0.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    1.2922    0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    2.6581    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2496   -0.7028    0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141   -1.7049    0.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0971   -1.7738   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5256    1.6743   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7346   -3.1539    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8521   -2.0941    0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8672   -2.1029   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    2.6986    0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    3.1740    0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    3.1669   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  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  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-03, 1438👍, 0💬