Molecule FYI-1002928

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A

Molecule Summary:

ID: FYI-1002928
Names:
InChIKey: PGOOBECODWQEAB-UHFFFAOYSA-N
SMILES: CN/C(=N\\N(=O)=O)NCc1cnc(Cl)s1

Received at FYIcenter.com on: 2023-04-27

Molecule ID: FYI-1002928 Edit

Molecule Structure InChIKey: PGOOBECODWQEAB-UHFFFAOYSA-N

Molecule Structure SMILES String: CN/C(=N\N(=O)=O)NCc1cnc(Cl)s1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002928
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.0655    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 Cl  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
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002928-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    4.8727   -1.2718   -0.9529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5112   -1.0407    0.8412 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8700   -1.9542   -0.6255 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7407   -2.0336   -0.0777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598    0.0288    1.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8608   -0.0724   -0.1292 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1953    0.8041   -0.8356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039    1.9486   -0.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8019   -1.4366   -0.2825 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3699    0.5288    1.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5729    0.3744    0.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628    0.7096    0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0642    1.2399   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5213   -0.3858   -0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6078    2.5609   -0.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    0.0113    2.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2504    1.5870    1.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075   -0.9082    1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    2.2080   -0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6850    0.4282   -0.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7586    1.9908   -1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652    3.5592   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5601    2.6823   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  2  0  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 13 19  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
$$$$

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2023-05-09, 463👍, 0💬