Molecule FYI-1001277

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A

Molecule Summary:

ID: FYI-1001277
SMILES: NC1=NC2=C(C(=O)N1)C(=O)C(CCC(O)=O)=NN2

Received at FYIcenter.com on: 2022-04-25

Molecule ID: FYI-1001277 Edit

Molecule Structure SMILES String: NC1=NC2=C(C(=O)N1)C(=O)C(CCC(O)=O)=NN2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001277
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 18  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001277-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.0148    0.1587   -0.0875 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639    0.0937   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0877    1.1653    0.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616    1.0445    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0805   -0.1512    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528   -1.3623    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7033   -2.5001    0.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075   -1.1485    0.0098 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522   -0.1556    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2541   -1.1512   -0.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    1.1948    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7426    1.2520    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542    1.2009   -1.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1672    2.3826   -2.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3337    3.3646   -1.8456 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496    2.4391   -3.3044 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5714    2.3133    0.0291 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2239    2.2010    0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081    1.0705    0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -0.6309    0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.9717   -0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1150    0.4116    0.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0503    2.1680    0.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0096    0.3077   -1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4412    1.1133   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7959    3.2399   -1.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6506    3.0479    0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 22  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
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 345👍, 0💬