Molecule FYI-1008356

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A

Molecule Summary:

ID: FYI-1008356
Names:
InChIKey: QWKGDUKXNRZJDH-UHFFFAOYSA-N
SMILES: CCOC(=O)Cc1nnc[nH]1

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

Molecule ID: FYI-1008356 Edit

Molecule Structure InChIKey: QWKGDUKXNRZJDH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)Cc1nnc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008356
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    8.2780    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008356-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -2.2717    0.4337   -0.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704   -1.2965    0.2097 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    0.0769   -1.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0985    0.2837    1.1065 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.3764   -0.7384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031    1.0043   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954    0.4549    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212   -0.1091    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3564   -0.4968    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6626    0.2560   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2523   -0.2306    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1628    1.7042    0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    1.5313   -0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2662   -1.2309   -0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3259   -1.0134    0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804    0.0882   -2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5151   -0.4267   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7592    1.0067    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7004    0.7928   -1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007   -0.5076    1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1000👍, 0💬