Molecule FYI-1014165

A

Molecule Summary:

ID: FYI-1014165
Names:
InChIKey: UKGINCBRWPMVSL-UHFFFAOYSA-N
SMILES: C=c3ccc(=O)c(n2n(=O)c1ccccc1n2=O)c3

Received at FYIcenter.com on: 2025-03-07

Molecule ID: FYI-1014165 Edit

Molecule Structure InChIKey: UKGINCBRWPMVSL-UHFFFAOYSA-N

Molecule Structure SMILES String: C=c3ccc(=O)c(n2n(=O)c1ccccc1n2=O)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014165
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.7407    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    1.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7408    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    4.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2099    0.5669    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  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 16  8  1  0  0  0  0
  1 17  2  0  0  0  0
  9 18  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014165-3D
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.6675    0.2053    0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4122    0.1318    0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874    1.2945   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597    1.2149   -0.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2393   -0.0473   -0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4442   -0.0248   -0.7234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5588   -1.2822    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2390   -2.5115    0.0698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392   -3.5176    1.0464 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -3.3835    2.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9951   -4.5397    0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -5.7224    1.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347   -6.5518    0.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7943   -6.2157   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5926   -5.0123   -1.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6755   -4.1872   -0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -2.9773   -0.8774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2364   -2.4521   -2.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6901   -1.1283    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    1.1242    0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1673   -0.6546    1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3328    2.2315   -0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9705    2.0652   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6979   -5.9934    2.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3673   -7.5198    1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4922   -6.9462   -0.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0886   -4.7765   -2.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321   -1.9714    0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  2  0  0  0  0
 19 28  1  0  0  0  0
M  END
$$$$

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