Molecule FYI-1008788

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A

Molecule Summary:

ID: FYI-1008788
Names:
InChIKey: WVLRJCSZPLIHMA-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)c1c[nH]nc1N

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

Molecule ID: FYI-1008788 Edit

Molecule Structure InChIKey: WVLRJCSZPLIHMA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NC(=O)c1c[nH]nc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008788
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.0655    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    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  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008788-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    0.5315   -1.7127    0.2340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983    0.3896    0.0794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0837    0.4040   -0.0856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975    1.6525   -0.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4601   -1.8516    0.1622 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708   -0.0502    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315    1.0039    0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3976   -0.3743   -1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9212    0.1155    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295   -0.4933    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.5532    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2760    1.4698   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9072   -0.9666    0.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300    1.3801   -0.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688    0.6651    0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7274    1.9463    0.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567    1.2170    1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    0.5063   -1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7955   -1.1566   -1.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4331   -0.7268   -1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6391    2.3404   -0.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0876    0.2760   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7626   -2.5826    0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260   -2.1649    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  2  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1525👍, 0💬