Molecule FYI-1000261

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Molecule Summary:

ID: FYI-1000261
SMILES: C=C(C)[NH+](C)C(=O)C1=NC(=C)CC=C1N1N=CC=N1

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

Molecule ID: FYI-1000261 Edit

Molecule Structure SMILES String: C=C(C)[NH+](C)C(=O)C1=NC(=C)CC=C1N1N=CC=N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000261
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    3.3165    0.6173    1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5452    1.3320    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253    2.0145   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1838    1.4616    0.6317 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9683    0.9444    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8591    2.8799    0.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4302    0.9580   -0.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9029    0.9265   -1.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9376    0.4658   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9179    1.3303   -0.1930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1956    0.9726    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1683    1.8931    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5200   -0.4866    0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3647   -1.4665    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365   -0.9757    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342   -1.8410   -0.0081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1097   -3.1221    0.0740 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -3.6204    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9634   -2.5244   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1898   -1.4621   -0.1176 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3682    0.5172    0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9017    0.1319    1.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    1.3448   -1.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623    2.9242   -1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1681    2.2683   -0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4467    3.2726    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919    3.4387   -0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2023    2.9810    1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9275    2.9324   -0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1934    1.5963    0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0179   -0.5676    1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2308   -0.7985   -0.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5248   -2.5225    0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -4.6630    0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409   -2.5461   -0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000261-3D
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.4472   -1.8138    2.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786   -1.2813    2.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -1.4460    3.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0472   -0.5431    0.9046 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9941    0.5913    1.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5506   -1.2802   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5088   -0.6487   -1.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2598   -2.6293   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2014   -2.6557    0.7623 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9722   -3.7830    0.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9761   -3.7748    1.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7353   -5.0021    0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511   -4.8138   -0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8783   -3.7128   -1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8055   -3.6078   -1.9853 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609   -4.4211   -3.0849 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568   -3.9720   -3.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913   -2.9673   -2.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7514   -2.7275   -1.8261 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0817   -2.3778    2.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7501   -1.7181    1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -2.2052    3.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540   -0.5032    3.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5859   -1.7542    2.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2593   -0.0573    0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9048    0.2024    1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4781    1.2933    1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2501    1.1101    0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1772   -2.9044    2.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6283   -4.6353    1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4521   -5.8446    0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6584   -5.2754   -0.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4612   -5.6683   -1.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2255   -4.4054   -4.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0775   -2.4118   -3.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-03-07, 3167👍, 0💬