Molecule FYI-1004678

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A

Molecule Summary:

ID: FYI-1004678
Names:
InChIKey: FDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES: O=c1[nH]cnc2[nH]cnc12

Received at FYIcenter.com on: 2023-09-20

Molecule ID: FYI-1004678 Edit

Molecule Structure InChIKey: FDGQSTZJBFJUBT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1[nH]cnc2[nH]cnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004678
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
  3 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004678-3D
FYIcenter.com

 14 15  0     0  0  0  0  0  0999 V2000
   -1.7504    1.9036    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    1.3753   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658   -1.8236    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0816   -0.6881    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0264   -0.3911   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1533    0.5197    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203   -0.7322    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2651    0.7783    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3536    0.6023   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -1.5444   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816    2.3862   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795   -2.7774    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405    1.0428   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -2.4655   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 1656👍, 0💬