Molecule FYI-1007218

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A

Molecule Summary:

ID: FYI-1007218
Names:
InChIKey: WDZPMVGACCABPP-UHFFFAOYSA-N
SMILES: CC1Cn3c(=O)ccc2ncc(=O)n1c23

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007218 Edit

Molecule Structure InChIKey: WDZPMVGACCABPP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1Cn3c(=O)ccc2ncc(=O)n1c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007218
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    3.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    2.0968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    1.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    3.9210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236    5.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6962    6.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230    5.6093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0712    5.9920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9583    2.7936    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  3  1  0  0  0  0
 10 13  2  0  0  0  0
  6 14  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007218-3D
FYIcenter.com

 24 26  0     1  0  0  0  0  0999 V2000
    3.4234    0.0048    0.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4029    1.1338    0.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282    0.4178    0.1463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157    0.7408    0.1146 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888   -2.3527   -0.1313 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9780    1.8814    0.2677 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5600    2.0852    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954   -0.1584    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013    2.6112   -0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2610   -1.4713   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625   -0.3530    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445    0.3698    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6184   -1.9607   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6624   -1.1123   -0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780   -1.8364   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4613    2.2044    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8850    2.4351    1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540    2.7668   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1732    2.2708   -1.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    2.4343   -0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4385    3.6906   -0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7826   -3.0262   -0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6848   -1.4650   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -2.4835   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  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 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
$$$$

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2024-02-18, 181👍, 0💬