Molecule FYI-1006345

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A

Molecule Summary:

ID: FYI-1006345
Names:
InChIKey: DVNMQGCNQZBDPB-UHFFFAOYSA-N
SMILES: C=CC(=C)CC1=CNCN=C1

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006345 Edit

Molecule Structure InChIKey: DVNMQGCNQZBDPB-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=C)CC1=CNCN=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006345
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4252    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.6999    0.0000 C   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  2  0  0  0  0
  8 11  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006345-3D
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.2317    0.0068   -1.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -0.6805   -1.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9973   -1.2842   -0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760   -1.8471    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095   -1.2177   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098   -2.3677   -1.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5895   -2.4573   -2.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3587   -3.4992   -3.0991 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648   -4.2225   -2.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337   -4.4135   -0.8259 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -3.5246   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8591    0.4433   -2.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6381    0.1561   -1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -0.7692   -2.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920   -1.8953    0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -2.2830    1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   -1.1556    0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567   -0.2759   -1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.7073   -3.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8195   -3.3390   -3.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1100   -3.6824   -1.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4237   -5.2010   -2.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1281   -3.6172    0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

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2023-12-29, 280👍, 0💬