Molecule FYI-1002502

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A

Molecule Summary:

ID: FYI-1002502
Names:
InChIKey: HCUQQMNOMUHGRR-UHFFFAOYSA-N
SMILES: CCc3nc(c1ccccc1)c(c2ccncc2)s3

Received at FYIcenter.com on: 2023-04-05

Molecule ID: FYI-1002502 Edit

Molecule Structure InChIKey: HCUQQMNOMUHGRR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc3nc(c1ccccc1)c(c2ccncc2)s3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002502
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.2038    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2038    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9914    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9914    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7306    5.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1632    7.2129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0306    8.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980    7.2129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3306    5.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0306    9.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430   10.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
  7 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002502-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
    1.8468   -1.9153    0.2573 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2755    0.6339    0.2460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834   -2.5691   -0.1518 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9114    0.4398    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901   -0.8740    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8681   -0.5374    0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0149    1.5574    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8305   -1.4495    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297   -0.7302    0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174    2.1219    1.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240    2.0788   -1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0283   -0.8327   -0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710   -1.7483   -1.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629   -1.7089    1.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886    3.2075    1.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952    3.1644   -1.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    3.7287   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6403   -2.3024   -1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8237   -2.2647    1.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7558    0.1196    0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5631   -1.6223    1.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633    1.7274    2.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0823    1.6504   -2.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6657   -1.6963   -1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1084   -0.9437   -0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    0.0651   -1.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299   -1.5593   -2.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1747   -1.4883    2.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8033    3.6469    2.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594    3.5704   -2.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4060    4.5739   -0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1081   -2.5538   -2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4367   -2.4862    1.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3 18  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$

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2023-04-26, 2174👍, 0💬