Molecule FYI-1008220

A

Molecule Summary:

ID: FYI-1008220
Names:
InChIKey: NLAFCLPRHJTXFK-UHFFFAOYSA-N
SMILES: Cn3cc(c2cn(C1CC(C)(C)N(O)C(C)(C)C1)nn2)c(N)nc3=O

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008220 Edit

Molecule Structure InChIKey: NLAFCLPRHJTXFK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3cc(c2cn(C1CC(C)(C)N(O)C(C)(C)C1)nn2)c(N)nc3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008220
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.2100    5.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1224    2.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8224    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    4.8362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349    5.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    2.7362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5062    3.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694    2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694    1.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6387    1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9100    6.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    6.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 16  1  0  0  0  0
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 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24  1  1  0  0  0  0
 25  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008220-3D
FYIcenter.com

 50 52  0  0  0  0  0  0  0  0999 V2000
    2.1721   -1.5270    4.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134   -1.5517    3.8657 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602   -2.1880    2.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819   -2.2313    2.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0725   -2.8856    1.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5226   -3.9091    0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4597   -4.2234   -0.2458 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5134   -5.4217   -1.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1984   -5.3194   -2.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2985   -4.8344   -3.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2161   -3.2900   -3.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9965   -5.1789   -4.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9473   -5.4850   -3.6308 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930   -6.8805   -4.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2422   -5.5674   -2.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145   -4.2052   -1.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0235   -6.5332   -2.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1691   -6.1450   -1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5460   -3.4320   -0.0896 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3084   -2.5986    0.9221 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2916   -1.5627    3.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4088   -0.9155    4.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6533   -1.9387    3.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1540   -6.0810   -0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5451   -6.3342   -2.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$

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2024-07-15, 1376👍, 0💬