Molecule FYI-1009371

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A

Molecule Summary:

ID: FYI-1009371
Names:
InChIKey: OXZLTXZGERQCQA-UHFFFAOYSA-N
SMILES: COC(=O)C2SC1N=CC=CC1C2N

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009371 Edit

Molecule Structure InChIKey: OXZLTXZGERQCQA-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C2SC1N=CC=CC1C2N

Download SDF Download SVG Structure in 2D SDF:

FYI-1009371
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   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
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    0.5667    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009371-3D
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    1.3978    0.1593    0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076    0.1940    0.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.0134    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9594   -2.0063    0.7821 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021   -0.9919   -0.8388 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7850   -0.6742   -2.5003 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2848   -2.3933   -2.6122 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6378   -2.9155   -3.8148 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6643   -4.2072   -3.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4373   -5.1113   -2.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382   -4.5576   -2.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6315   -3.0625   -2.2997 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1462   -2.4085   -0.9772 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6266   -2.3533   -0.9642 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    1.1875    0.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757   -0.3835    1.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7059   -0.3007    0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2226   -0.2218   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685   -2.5600   -1.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0972   -4.7211   -4.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363   -6.1735   -2.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1191   -5.1706   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3516   -2.8683   -3.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758   -3.0426   -0.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9598   -1.7750   -1.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057   -3.2858   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1218👍, 0💬