Molecule FYI-1004670

A

Molecule Summary:

ID: FYI-1004670
Names:
InChIKey: JELDRBKYABQVDC-LNKIKWGQSA-N
SMILES: CCc3ncc(N2C=C(C/C(=C\\CN)NC(=O)O/N=C(N)/c1cc(C)on1)COC2)c(N)n3

Received at FYIcenter.com on: 2023-09-20

Molecule ID: FYI-1004670 Edit

Molecule Structure InChIKey: JELDRBKYABQVDC-LNKIKWGQSA-N

Molecule Structure SMILES String: CCc3ncc(N2C=C(C/C(=C\CN)NC(=O)O/N=C(N)/c1cc(C)on1)COC2)c(N)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004670
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
   19.0592    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4898    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1205    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2531    1.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898    2.5710    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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  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
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  9  8  1  0  0  0  0
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 23 22  1  0  0  0  0
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 30 29  1  0  0  0  0
 31  9  2  0  0  0  0
 32  4  2  0  0  0  0
 33 32  1  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004670-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    1.2757   -1.7035    1.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   -2.6376    1.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7863   -3.0836    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385   -2.3337   -0.6432 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964   -2.7713   -1.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803   -3.9239   -2.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696   -4.3811   -3.7183 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198   -4.3148   -4.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7842   -4.8846   -5.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7738   -6.7354   -2.7592 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813   -2.8128   -4.8753 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1777   -2.2199   -6.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6383   -1.1615   -7.4149 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1210   -0.0287   -7.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9286    1.2202   -7.2715 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9957   -0.0554   -8.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 31  2  0  0  0  0
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  8 40  1  0  0  0  0
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M  END
$$$$

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2023-09-23, 2281👍, 0💬