Molecule FYI-1014332

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A

Molecule Summary:

ID: FYI-1014332
Names:
InChIKey: HNHHCJNEAXSIIP-UHFFFAOYSA-N
SMILES: C1=COC=NNC1

Received at FYIcenter.com on: 2025-04-02

Molecule ID: FYI-1014332 Edit

Molecule Structure InChIKey: HNHHCJNEAXSIIP-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=COC=NNC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014332
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    1.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    2.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    3.1458    0.0000 C   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  1  0  0  0  0
  7  6  2  0  0  0  0
  7  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014332-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4055    0.7794   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4789   -0.5402   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4472   -1.4817   -0.1007 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778   -1.2245    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -0.1414   -0.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9832    0.9907   -0.4410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1598    1.5295    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    1.3662   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993   -1.0575   -0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3692   -2.1662    0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    1.7250   -0.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3026    2.5687   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.5520    1.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1385👍, 0💬