Molecule FYI-1014427

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A

Molecule Summary:

ID: FYI-1014427
Names:
InChIKey: URJPFUWEPURIBC-BUHFOSPRSA-N
SMILES: O=C2CCC(/N=N/c1ccccc1)C(=O)N2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014427 Edit

Molecule Structure InChIKey: URJPFUWEPURIBC-BUHFOSPRSA-N

Molecule Structure SMILES String: O=C2CCC(/N=N/c1ccccc1)C(=O)N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014427
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   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
    3.6373    4.2000    0.0000 N   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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014427-3D
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
   -2.2260   -1.0127    0.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149   -0.3171    0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635    1.1752    0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    1.8583   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    1.2802    0.1369 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4782    1.6107    1.5518 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0779    2.6992    1.6774 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4609    2.9780    3.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7288    1.9921    3.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821    2.3388    5.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806    3.6776    5.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192    4.6696    4.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6634    4.3188    3.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484   -0.2378    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2891   -0.8932   -0.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0317   -0.8770    0.0336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672    1.3715    1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2017    1.5539   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1341    2.9375   -0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1795    1.7117   -1.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0444    1.6592   -0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    0.9406    3.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926    1.5611    5.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472    3.9465    6.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805    5.7149    4.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768    5.0997    2.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0603   -1.8831   -0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$

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2025-04-26, 524👍, 0💬