Molecule FYI-1006353

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A

Molecule Summary:

ID: FYI-1006353
Names:
InChIKey: VXNBWOGVFBSULQ-VSBFRKNKSA-N
SMILES: CNC(=O)/C=N/O[C@@H]1CCCCO1

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006353 Edit

Molecule Structure InChIKey: VXNBWOGVFBSULQ-VSBFRKNKSA-N

Molecule Structure SMILES String: CNC(=O)/C=N/O[C@@H]1CCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006353
FYIcenter.com

 13 13  0  0  1  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006353-3D
FYIcenter.com

 27 27  0  0  1  0  0  0  0  0999 V2000
    8.7947    1.8927   -2.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0255    1.3961   -1.5340 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7668    0.0466   -1.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671   -0.7975   -2.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0364   -0.3752   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6553   -1.0934    0.6980 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7704   -1.4969    1.7239 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4856   -2.3749    2.6207 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8450   -3.7045    1.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6207   -4.5983    1.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -4.7776    3.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6295   -3.4224    3.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7888   -2.6001    3.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8788    2.9793   -2.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2992    1.6216   -3.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    1.4410   -2.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8218    2.0122   -0.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -0.0544   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129   -1.8598    2.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5738   -4.2329    2.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3065   -3.5440    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9176   -5.5707    1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9194   -4.1476    1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6178   -5.3336    3.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0281   -5.3710    3.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2395   -3.5722    4.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8596   -2.8929    3.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  1  0  0  0
  9 10  1  0  0  0  0
  9 20  1  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
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$

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2023-12-29, 478👍, 0💬