Molecule FYI-1006027

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A

Molecule Summary:

ID: FYI-1006027
Names:
InChIKey: PWWVAXIEGOYWEE-UHFFFAOYSA-N
SMILES: CC(Cn3c1ccccc1sc2ccccc23)N(C)C

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006027 Edit

Molecule Structure InChIKey: PWWVAXIEGOYWEE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(Cn3c1ccccc1sc2ccccc23)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006027
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    1.2124    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006027-3D
FYIcenter.com

 40 42  0     1  0  0  0  0  0999 V2000
    2.2418   -1.5610    1.0139 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123    0.1035   -0.3327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2605    1.8089    0.3947 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270    0.9162    0.6435 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1766    0.9701   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622    0.7227   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -1.2931   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4427    1.3420    1.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3694    0.0593    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -2.1562    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9428    1.4330   -0.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103    3.1981    0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    2.0076   -0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186   -1.8872   -0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    0.6752    0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -3.5414    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7507    2.6130   -0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6415   -3.2652   -0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8217    1.9474   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912   -4.0929   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5268   -0.0892    0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340    0.6840   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8892    2.0026   -0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926    2.2156    1.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1706    1.5446    2.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8052    0.5298    2.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1579    0.3589   -0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153    1.7224   -1.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9173    1.9352   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7004    3.8355    0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1871    3.4547   -0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3302    3.5528    1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387    2.5745   -1.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1942   -1.3037   -1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4861    0.1679    0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173   -4.2073    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932    3.5980   -1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5574   -3.6868   -1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8021    2.4126   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598   -5.1638   -0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  7 14  2  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1824👍, 0💬