Molecule FYI-1002303

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A

Molecule Summary:

ID: FYI-1002303
Names:
InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N
SMILES: O=c1ncnc2[nH][nH]cc12

Received at FYIcenter.com on: 2023-02-23

Molecule ID: FYI-1002303 Edit

Molecule Structure InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1ncnc2[nH][nH]cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1002303
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.1721    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1337    4.1693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    4.3158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002303-3D
FYIcenter.com

 14 15  0     0  0  0  0  0  0999 V2000
    1.8177    1.8841   -0.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1033   -0.6662   -0.0227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796    0.6473    0.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355   -1.8203   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0055   -0.4224    0.0069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1352    0.5845    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301   -0.7809   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163    1.3787    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3104    0.7697   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952   -1.5745    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    2.4553   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.3996    0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2696    1.0424   -0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0309   -2.4754    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

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2023-03-17, 1747👍, 0💬