Molecule FYI-1009384

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A

Molecule Summary:

ID: FYI-1009384
Names:
InChIKey: HMWDUJWFFAIBFW-UHFFFAOYSA-N
SMILES: CCC(=O)NC2C=CC=C1NC=NC12

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

Molecule ID: FYI-1009384 Edit

Molecule Structure InChIKey: HMWDUJWFFAIBFW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)NC2C=CC=C1NC=NC12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009384
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.2747    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    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  3  1  0  0  0  0
  6  5  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  6  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009384-3D
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
    3.9911   -2.0497    1.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920   -0.7962    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671    0.4229    1.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    0.3982    2.3608 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    1.5568    0.5966 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8595    2.8548    0.8917 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1944    2.8332    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095    3.7974   -0.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8608    5.0207   -0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451    5.1368   -0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936    6.2409   -0.0281 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1481    5.9330    1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290    4.6894    1.4776 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9331    3.9964    0.3940 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5049   -2.9055    1.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620   -1.9281    2.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548   -2.2815    1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7203   -0.5892    0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2021   -0.9585   -0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8340    1.4448   -0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0346    2.9302    1.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8462    1.9849    0.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5853    3.7311   -1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3712    5.8696   -1.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2973    7.1598   -0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6635    6.7752    1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1878    3.5837   -0.3020 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
  2 18  1  0  0  0  0
  2 19  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 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1080👍, 0💬