Molecule FYI-1009421

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A

Molecule Summary:

ID: FYI-1009421
Names:
InChIKey: AJHKLXPMSUURDF-UHFFFAOYSA-N
SMILES: C3=NC2C=C(c1nnn[nH]1)C=CC2NC3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009421 Edit

Molecule Structure InChIKey: AJHKLXPMSUURDF-UHFFFAOYSA-N

Molecule Structure SMILES String: C3=NC2C=C(c1nnn[nH]1)C=CC2NC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009421
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    7.0655    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009421-3D
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
    2.6436   -1.1041   -0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.3844   -0.5294 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510   -0.1554   -0.0159 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9535   -0.3117    0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5144    0.8267    0.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3449    0.7671    2.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5200    1.6737    3.0720 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1944    1.0530    4.0923 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726   -0.2027    3.7792 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9740   -0.3691    2.5469 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9992    2.1215    0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.2539   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942    1.0525   -0.9615 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8373    1.3069   -1.1232 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504    0.2855   -0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -1.8881   -1.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483    0.0416    0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2301   -1.3155    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0560   -1.2738    2.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4839    3.0176    0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    3.2377   -0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    0.8381   -1.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244    1.2186   -2.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670    0.4854    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0031    0.3170   -0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1779👍, 0💬