Molecule FYI-1007528

A

Molecule Summary:

ID: FYI-1007528
Names:
InChIKey: SJSSDVUAPAWTJU-UHFFFAOYSA-N
SMILES: Cc1ncc(N(=O)=O)n1CCOc4ccn3c(c2ccccc2)nnc3n4

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007528 Edit

Molecule Structure InChIKey: SJSSDVUAPAWTJU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ncc(N(=O)=O)n1CCOc4ccn3c(c2ccccc2)nnc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007528
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.9467    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    4.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3565    4.1437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0565    5.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1196    6.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4108    7.7659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7422    8.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3704    8.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    5.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    6.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    6.5271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    6.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    5.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661    4.4271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    3.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    4.4271    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
  7  6  2  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 18 17  2  0  0  0  0
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 25 15  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007528-3D
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
    1.3371   -7.5817    1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127   -7.3370    0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991   -7.9011    0.2824 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2643   -7.4604   -0.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4739   -6.5982   -1.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040   -5.9415   -2.7557 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8846   -6.2496   -3.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011   -5.1072   -3.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2891   -6.5017   -0.8543 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0842   -5.7629   -1.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555   -4.3453   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0921   -3.5942   -1.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253   -4.0550   -0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2788   -3.4273   -1.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4879   -3.9981   -1.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8059   -4.9449   -0.7267 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9993   -5.5559   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3100   -5.2573   -0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2669   -6.2683   -1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5125   -5.9836   -1.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8126   -4.6908   -2.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8827   -3.6720   -1.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6518   -8.3654    1.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1338   -6.6757    1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -7.7946   -1.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316   -6.3489   -0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9823   -3.1172   -1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 150👍, 0💬