Molecule FYI-1001622

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A

Molecule Summary:

ID: FYI-1001622
SMILES: O=C1N([N-]C=C1n2ccnn2)c3cc(ncn3)N4CCOCC4.[Na+]

Received at FYIcenter.com on: 2022-10-06

Molecule ID: FYI-1001622 Edit

Molecule Structure SMILES String: O=C1N([N-]C=C1n2ccnn2)c3cc(ncn3)N4CCOCC4.[Na+]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001622
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.7219    4.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432    4.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    5.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430    5.6532    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3361    3.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5309    2.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1377    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5240    0.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7671    1.5736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3868    7.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859    7.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    8.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7012    9.5564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3021    9.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449    8.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8422    8.4181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5842    7.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9834    7.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6406    8.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8987    9.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4995    9.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6532    0.0000 Na  0  3  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  1  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  1  0  0  0  0
  9  8  2  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  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001622-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.3269   -0.1872   -1.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0365   -0.1625   -0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067   -1.1196    0.2883 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621   -0.6571    1.3731 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.3415    0.5436    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8930    0.9596   -0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    2.1202   -1.0115 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0236    3.1238   -0.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9066    4.0776   -1.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659    3.6916   -2.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996    2.5109   -2.1670 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -2.4383    0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906   -3.3327    1.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190   -4.6283    1.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7006   -4.9994    0.1922 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805   -4.0792   -0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369   -2.7862   -0.7218 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8363   -5.5553    2.1577 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576   -5.5102    2.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744   -6.8017    2.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0824   -7.9818    2.9950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9762   -8.0070    2.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623   -6.7944    2.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570   -0.8913   -1.0657 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.0058    1.1804    1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6563    3.0420    0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4467    5.0059   -1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437   -3.0012    2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -4.4183   -1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582   -5.4222    4.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7105   -4.6633    2.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7007   -6.8248    3.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3077   -6.8448    1.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150   -8.9281    2.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3618   -8.0465    1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -6.8229    3.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095   -6.8533    1.5972 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  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1444👍, 0💬