Molecule FYI-1007504

A

Molecule Summary:

ID: FYI-1007504
Names:
InChIKey: OFSIJOWDJFHRNO-UHFFFAOYSA-N
SMILES: CCOCCN2CC(C(N)=O)c1c(N)cccc12.CP(=O)(O)O

Received at FYIcenter.com on: 2024-02-27

Molecule ID: FYI-1007504 Edit

Molecule Structure InChIKey: OFSIJOWDJFHRNO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCCN2CC(C(N)=O)c1c(N)cccc12.CP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007504
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.1591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    5.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    6.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938    3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9841    3.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8215    2.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0493    1.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6807    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9274    0.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1712    1.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 11  1  0  0  0  0
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 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
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  9 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007504-3D
FYIcenter.com

 47 47  0  0  1  0  0  0  0  0999 V2000
    1.2435    4.0916   -2.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    3.6737   -2.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8854    3.0136   -1.5338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2520    2.6415   -1.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1951    3.7871   -0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5881    3.4205   -1.1057 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2828    2.4716   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7668    2.4655   -0.6878 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2995    1.0514   -0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9121    0.4683   -1.6103 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    0.4318    0.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6543    3.0640   -2.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    3.2912   -3.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9674    2.8728   -2.8244 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290    3.7454   -4.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8936    4.1029   -4.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518    4.0194   -3.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3397    3.5100   -2.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535   -0.0877   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835   -0.0877   -0.0124 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373   -0.0099    1.5127 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6040    2.0270   -2.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2367    2.0220   -0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8283    1.4801   -0.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994    2.7690    0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2291    1.0116   -2.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3271   -0.4457   -1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2590    2.9664   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2920   -1.8244   -1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7282   -0.4427    0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 34  1  0  0  0  0
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  8 12  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 37  1  0  0  0  0
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 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1354👍, 0💬