Molecule FYI-1014419

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A

Molecule Summary:

ID: FYI-1014419
Names:
InChIKey: CJGNAWBLVSUPCU-CCEZHUSRSA-N
SMILES: Nc2ccc(/N=N/c1ccc[nH]1)c(N)n2

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

Molecule ID: FYI-1014419 Edit

Molecule Structure InChIKey: CJGNAWBLVSUPCU-CCEZHUSRSA-N

Molecule Structure SMILES String: Nc2ccc(/N=N/c1ccc[nH]1)c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014419
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.4905    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014419-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2425   -0.1364   -0.3202 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144   -0.1023   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2705    1.1120    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6426    1.1129    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431   -0.0958    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7367   -0.1581    0.5872 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3379    0.8158    0.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6640    0.8945    0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5880    0.0959    0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8485    0.7420    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6691    1.9242    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    2.0038   -0.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5857   -1.2727    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1719   -2.5384    0.3384 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2478   -1.2845   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320    0.4223    0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568   -1.1119   -0.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    2.0465   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    2.0600    0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3685   -0.8541    1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7826    0.3836    1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3618    2.7132    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9171    2.7644   -0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106   -2.6140   -0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656   -3.2302    0.1068 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
  2  3  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2025-04-26, 224👍, 0💬