Molecule FYI-1004907

A

Molecule Summary:

ID: FYI-1004907
Names:
InChIKey: BMOVDKGKUGWFHG-UHFFFAOYSA-N
SMILES: CCCc3n[nH]c4c(=O)[nH]c(c2cc(/S(OCC)=[O+3](=O)/N1CCN(C)CC1)ccc2C)nc34

Received at FYIcenter.com on: 2023-09-28

Molecule ID: FYI-1004907 Edit

Molecule Structure InChIKey: BMOVDKGKUGWFHG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc3n[nH]c4c(=O)[nH]c(c2cc(/S(OCC)=[O+3](=O)/N1CCN(C)CC1)ccc2C)nc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004907
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.7470    6.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144    7.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    8.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186   10.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186   12.3326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 C   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
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  9  8  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004907-3D
FYIcenter.com

 64 67  0  0  0  0  0  0  0  0999 V2000
    2.1363   -1.9355   -1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862   -1.3157   -0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   -0.3754    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7145    0.2538    0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3553    1.0324   -0.3417 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4950    1.3750    0.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6063    0.8695    1.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6381    0.9465    2.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6639    1.6143    2.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3491    0.1981    3.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3433   -0.9419    7.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9971   -0.2532    9.0832 S   0  0  3  0  0  0  0  0  0  0  0  0
    8.4733   -0.9248    8.9893 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3703   -0.6160    7.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3353    1.7236    8.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5134    1.7822   10.0837 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4854    2.8768    9.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
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 32 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-11, 1966👍, 0💬