Molecule FYI-1015775

A

Molecule Summary:

ID: FYI-1015775
Names:
InChIKey: SSGYLQJSVNTPKI-KOLCDFICSA-N
SMILES: N#CC4CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Received at FYIcenter.com on: 2025-10-10

Molecule ID: FYI-1015775 Edit

Molecule Structure InChIKey: SSGYLQJSVNTPKI-KOLCDFICSA-N

Molecule Structure SMILES String: N#CC4CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015775
FYIcenter.com

 23 26  0  0  1  0  0  0  0  0999 V2000
    3.7039    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.3587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9698    0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    0.8877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1024    2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    3.9027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2372    4.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6066    4.6519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0392    3.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4086    3.0295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1711    1.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3453    2.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5827    3.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7146    2.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0841    2.0356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8045    6.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 14  9  1  0  0  0  0
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 20 19  3  0  0  0  0
 21 12  1  0  0  0  0
  2 22  1  1  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015775-3D
FYIcenter.com

 40 43  0     1  0  0  0  0  0999 V2000
   -6.6016   -1.1945    0.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0890   -0.2608    0.6567 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878    1.3843    0.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9424    1.8896    0.5363 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982   -1.7745    0.1793 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044   -1.0256   -0.1274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279   -3.2877   -0.2873 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264    0.3135   -1.4486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6683    1.5827   -0.1149 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5501    0.8021    0.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7942    0.3663    0.0871 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0859    0.0824    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8008    0.9179    0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.1485    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624    1.0900   -1.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3165    0.4253   -1.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7299   -0.5089    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074    0.2002    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2804   -1.0175    0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2743    2.3693    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0512    0.2105   -0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227   -1.9515   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6834    1.7207    1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0934   -1.6420   -0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040   -1.8901    1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6636    1.2822   -2.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8639    0.0214   -2.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3105   -1.1088    1.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6442   -1.8141    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5512    3.4122    0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8921   -2.0795    0.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4008   -3.4865   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2601   -4.0272   -0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
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  2 14  1  0  0  0  0
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  4 19  1  0  0  0  0
  4 21  2  0  0  0  0
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  5 23  1  0  0  0  0
  6 18  1  0  0  0  0
  6 23  2  0  0  0  0
  7 23  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 22  3  0  0  0  0
  9 10  1  0  0  0  0
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  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
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 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 30  1  0  0  0  0
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 15 16  2  0  0  0  0
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 18 19  2  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

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2025-10-14, 474👍, 0💬