Molecule FYI-1008887

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A

Molecule Summary:

ID: FYI-1008887
Names:
InChIKey: WMWUQLMRNQGYEY-UHFFFAOYSA-N
SMILES: CN(C)c1nc(N)nc(CCl)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008887 Edit

Molecule Structure InChIKey: WMWUQLMRNQGYEY-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c1nc(N)nc(CCl)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008887
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 12  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008887-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    3.1949    1.7620    0.9518 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1902    0.6783    0.0498 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175    0.9489   -0.2661 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8240   -1.2269    0.1041 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.9816   -0.2142 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932   -3.0949    0.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186    0.1124   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3829    2.1157   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658   -0.1527    0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3095    0.3350   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288   -1.7000    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4960    1.2037   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4336    2.4042    0.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    2.4509   -1.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8159    2.6580    0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4874   -0.8766   -0.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2860    0.4389    0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2761   -0.6956    1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198    2.0856   -1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2721    0.6598   -1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   -3.4958    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165   -3.6758    0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-06-03, 176👍, 0💬