Molecule FYI-1004578

A

Molecule Summary:

ID: FYI-1004578
Names:
InChIKey: JYZUVYVYSCXRQQ-UHFFFAOYSA-N
SMILES: Cc2cc(/C(N)=N/OC(=O)Nc1cccc(N)c1)no2

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004578 Edit

Molecule Structure InChIKey: JYZUVYVYSCXRQQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(/C(N)=N/OC(=O)Nc1cccc(N)c1)no2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004578
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.0655    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.0694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  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
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004578-3D
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
  -10.0930   -1.6657   -1.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6717   -1.5200   -1.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6882   -2.4039   -1.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424   -1.5987   -0.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2148   -2.0531   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2924   -1.0558   -0.3753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0527   -3.3290   -0.3786 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -3.6150    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5295   -4.9685    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4236   -5.3787    0.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6706   -5.7189    0.0683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8609   -7.0985    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8432   -7.9658    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0961   -9.3305    0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3742   -9.8340    0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4223   -8.9771    0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6688   -9.5077   -0.1643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1426   -7.6184   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8210   -0.3026   -1.1605 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1608   -0.2606   -1.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3933   -2.7186   -1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2790   -1.2884   -2.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7232   -1.1141   -1.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7704   -3.4768   -1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5151   -0.1774   -0.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252   -1.3467   -0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4529   -5.1400   -0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8342   -7.6144    0.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892  -10.0014    1.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5433  -10.9033    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8709  -10.3997    0.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4386   -8.8537   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9374   -6.9627   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2442👍, 0💬