Molecule FYI-1016218

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A

Molecule Summary:

ID: FYI-1016218
Names:
InChIKey: LETMOHPMBKYRPT-UHFFFAOYSA-N
SMILES: Nc1nc(N)nc(NCCCO)n1

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016218 Edit

Molecule Structure InChIKey: LETMOHPMBKYRPT-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nc(N)nc(NCCCO)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016218
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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 C   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  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016218-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
    5.6950   -0.2438   -0.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761   -0.7007    0.0069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7348    0.9726    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3555   -1.3453    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525    0.3512   -0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4155    2.6081   -0.0029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6283   -1.9219   -0.0029 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9606    0.2519    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3093   -0.4582    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4886    0.5074    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628   -0.3423    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0499    1.2444   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6303   -0.9234   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8926    0.8893    0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8892    0.8991   -0.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872   -1.1278    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833   -1.1148   -0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833   -1.6930    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4639    1.1569   -0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4808    1.1273    0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4283    0.3949   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3941    2.8602   -0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943    3.3160   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6020   -1.6514   -0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574   -2.8955   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 13  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2025-12-09, 825👍, 0💬