Molecule FYI-1008639

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A

Molecule Summary:

ID: FYI-1008639
Names:
InChIKey: OWPVXRBXFUWWJQ-UHFFFAOYSA-N
SMILES: CC(C)NC(=N)NC(=N)NC(C)C

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

Molecule ID: FYI-1008639 Edit

Molecule Structure InChIKey: OWPVXRBXFUWWJQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NC(=N)NC(=N)NC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008639
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   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 C   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
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008639-3D
FYIcenter.com

 32 31  0     0  0  0  0  0  0999 V2000
   -1.4655   -0.2490    0.0990 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4653   -0.2491    0.0989 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.5990    0.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2469    2.0142    0.1701 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470    2.0141    0.1702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435   -0.7210    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8436   -0.7208    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3201   -0.8103   -1.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109   -2.0697    0.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9109   -2.0696    0.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3204   -0.8102   -1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735    1.0363    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734    1.0361    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5177   -0.0676    0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177   -0.0674    0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003    0.1694   -1.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3466   -1.1884   -1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6837   -1.4823   -1.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5695   -1.9845    1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9348   -2.4578    0.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.8075    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2709   -2.8073    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9347   -2.4576    0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5693   -1.9844    1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6840   -1.4823   -1.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3470   -1.1883   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007    0.1695   -1.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6165    0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2382    1.8136    0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    2.9964    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    1.8134    0.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959    2.9962    0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  2 13  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 28  1  0  0  0  0
  4 12  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 13  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1161👍, 0💬