Molecule FYI-1002092

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A

Molecule Summary:

ID: FYI-1002092
Names:
InChIKey: PDDBTWXLNJNICS-UHFFFAOYSA-N
SMILES: O=N(=O)c2cc1cccnc1c3ncccc23

Received at FYIcenter.com on: 2023-01-27

Molecule ID: FYI-1002092 Edit

Molecule Structure InChIKey: PDDBTWXLNJNICS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)c2cc1cccnc1c3ncccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002092
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3996    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887    6.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3241    4.5780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    1.3077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996    3.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309    4.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983    3.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1033    2.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684    2.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1242    4.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4525    1.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    6.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6952    2.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826    6.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5637    3.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7869    0.3453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0777    4.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4845    0.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2465    6.7597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7519    1.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047    7.9189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5181    4.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  4 17  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002092-3D
FYIcenter.com

 24 26  0     0  0  0  0  0  0999 V2000
   -2.1593   -3.0636    0.0001 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3627   -1.2276    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150    2.4454   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002    1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2572   -1.8154   -0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0813    0.3640   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272    1.0963   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3423    0.4145   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470   -0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -1.0339   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1452   -1.7129   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2935    1.0678   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2967    2.4537    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7639   -0.9473    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744    3.0899    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6700    0.4275    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1916   -2.8004   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3062    0.7079   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237   -2.7534   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2223    3.0179    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7251   -1.4472    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102    4.1729    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610    1.0466    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  4 17  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-19, 519👍, 0💬