Molecule FYI-1014408

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Molecule Summary:

ID: FYI-1014408
Names:
InChIKey: JNSMFLJLKSYDSG-FOCLMDBBSA-N
SMILES: Nc2cc(/N=N/c1ccccc1)cc(N)n2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014408 Edit

Molecule Structure InChIKey: JNSMFLJLKSYDSG-FOCLMDBBSA-N

Molecule Structure SMILES String: Nc2cc(/N=N/c1ccccc1)cc(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014408
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014408-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.1600   -0.0394   -0.3169 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5464   -0.0904   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2053   -1.3078   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5948   -1.3170   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3777   -2.4866   -0.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073   -3.4074   -0.7913 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -4.5464   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -4.8703    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4244   -6.0037    0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3699   -6.8405   -0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5007   -6.5465   -1.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6919   -5.4077   -1.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2617   -0.1004    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5262    1.0689    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1674    2.2987    0.1566 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1861    1.0881   -0.0821 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -0.6505    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8805    0.9319   -0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482   -2.2317   -0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6627   -4.2318    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0985   -6.2278    1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0049   -7.7211   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4529   -7.2006   -2.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0188   -5.1842   -2.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405   -0.0763    0.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9206    2.4143   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4587    3.0227    0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 16  2  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$

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2025-04-26, 678👍, 0💬