Molecule FYI-1008362

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Molecule Summary:

ID: FYI-1008362
Names:
InChIKey: YYPXNAAEYOJYES-UHFFFAOYSA-N
SMILES: Nc2nc1ccccc1c(=O)o2

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

Molecule ID: FYI-1008362 Edit

Molecule Structure InChIKey: YYPXNAAEYOJYES-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2nc1ccccc1c(=O)o2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008362
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    2.4248    3.5000    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
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   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  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008362-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -1.9468   -0.6840   -0.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7282   -2.5906    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202    1.4455    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2539    1.1518   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4524   -0.5552    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304    0.8295    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7109   -1.1651    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885    1.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720   -1.3673    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.3750   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488    1.0143   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695    0.6822   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -2.2466    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156    2.6989   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8401   -0.8418   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    1.6306   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4508    2.1466    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0461    0.5187   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1488👍, 0💬