Molecule FYI-1015326

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A

Molecule Summary:

ID: FYI-1015326
Names:
InChIKey: TZZXPQXPTUBQCK-UHFFFAOYSA-N
SMILES: Oc3c2c1ccccc1CCc2nn3c4ccccn4

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015326 Edit

Molecule Structure InChIKey: TZZXPQXPTUBQCK-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3c2c1ccccc1CCc2nn3c4ccccn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015326
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    5.2301    5.3353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    4.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    5.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019    4.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    2.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    3.2430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9118    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2836    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2433    2.7388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    4.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    6.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    8.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    9.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    8.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    7.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    6.5362    0.0000 C   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
  6  2  1  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
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015326-3D
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.0734   -0.2235   -0.2031 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931   -0.0895   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008    1.0238    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9102    2.4441    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6683    2.9777    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868    4.3621    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    5.2190    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954    4.7004   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972    3.3149   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3668    2.7543   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7007    1.4198    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5153    0.5248    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5746   -0.8026    0.0787 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2593   -1.1951   -0.0285 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248   -2.5867   -0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9454   -3.5305   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368   -4.8819   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -5.2580   -0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726   -4.2640   -0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6385   -2.9491   -0.3913 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7058    0.6329   -0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387    2.3439    0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5201    4.7743    0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955    6.2956    0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6122    5.3817   -0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521    3.4807   -0.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3791    2.6105   -1.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9698    1.6120    1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5648    0.9531   -0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9697   -3.2341    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4168   -5.6317   -0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598   -6.3003   -0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3348   -4.5041   -0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  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
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$

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2025-08-18, 1022👍, 0💬