Molecule FYI-1003033

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A

Molecule Summary:

ID: FYI-1003033
Names:
InChIKey: HFRCCWNNNJYJCB-ONEGZZNKSA-N
SMILES: CN(C)c1nc(/C=C/C(N)C(=O)O)cs1

Received at FYIcenter.com on: 2023-05-08

Molecule ID: FYI-1003033 Edit

Molecule Structure InChIKey: HFRCCWNNNJYJCB-ONEGZZNKSA-N

Molecule Structure SMILES String: CN(C)c1nc(/C=C/C(N)C(=O)O)cs1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003033
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.5396    4.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    2.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    4.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    3.6241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    2.7027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    6.1950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003033-3D
FYIcenter.com

 28 28  0  0  1  0  0  0  0  0999 V2000
    1.3550    0.2796    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097    0.0270   -0.2188 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458   -1.2657   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    1.1091   -0.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9592    2.3645   -0.4668 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9089    3.2335   -0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.6458   -0.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7751    5.2805   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7649    6.7628    0.0628 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5796    7.3895   -0.5783 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621    7.1366    1.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436    6.5455    2.4651 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    8.2851    1.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9869    2.6473   -1.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398    0.9506   -1.4995 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8960   -0.6498    0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342    0.7384   -0.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4899    0.9362    1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.9932    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1204   -1.1871    0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5576   -1.6907   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5827    5.2493   -1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711    4.6958    0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581    7.2379   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    6.8665   -0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6471    7.2149   -1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    8.5360    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8419    3.1136   -2.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2707👍, 0💬