Molecule FYI-1004320

A

Molecule Summary:

ID: FYI-1004320
Names:
InChIKey: UANKMWAFICCBPY-UDWIEESQSA-N
SMILES: CC(C)(C)OC(=O)NCc2ccc(/C=N/c1ccccc1O)cc2

Received at FYIcenter.com on: 2023-08-29

Molecule ID: FYI-1004320 Edit

Molecule Structure InChIKey: UANKMWAFICCBPY-UDWIEESQSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)NCc2ccc(/C=N/c1ccccc1O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004320
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   13.8492    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
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 23 13  1  0  0  0  0
 24 23  2  0  0  0  0
 24 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004320-3D
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    8.7640   -0.1183   -1.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0754   -0.8359   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2961   -2.1514    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5770   -1.1658   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8436    0.0405    1.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5864    0.4949    1.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967    0.2195    0.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5473    1.3226    2.3023 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3046    1.9496    2.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299    2.8572    3.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7311    4.2151    3.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8024    5.0700    4.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5869    4.5662    6.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6740    5.4495    7.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8119    6.7299    7.1084 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    7.5061    8.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1955    7.2888    9.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949    8.0510   10.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3489    9.0652   10.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0942    9.3325    9.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8978    8.5595    8.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6338    8.8311    7.1695 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3135    3.2100    6.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8663   -1.6615    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1817   -0.2557   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113    1.5356    2.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627    1.1647    2.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9343    2.5095    1.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8973    4.6183    2.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0286    6.1245    4.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6244    4.9482    8.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8019    7.8496   11.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5060    9.6535   11.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0166    1.3034    5.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 24  2  0  0  0  0
 11 12  2  0  0  0  0
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 13 23  2  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2276👍, 0💬