Molecule FYI-1003906

A

Molecule Summary:

ID: FYI-1003906
Names:
InChIKey: WLYWOBKVNWZXBL-UHFFFAOYSA-N
SMILES: O=c3nc(c1ccc(O)cc1)cc(c2ccccc2)[nH]3

Received at FYIcenter.com on: 2023-08-04

Molecule ID: FYI-1003906 Edit

Molecule Structure InChIKey: WLYWOBKVNWZXBL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3nc(c1ccc(O)cc1)cc(c2ccccc2)[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003906
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0624    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  3  7  1  0  0  0  0
  1  8  1  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 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  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 18  2  0  0  0  0
  7 18  1  0  0  0  0
  7 14  2  0  0  0  0
  5 19  2  0  0  0  0
  5  6  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003906-3D
FYIcenter.com

 32 34  0     0  0  0  0  0  0999 V2000
   -6.0241    1.5190    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6371   -3.8282   -0.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707   -1.9686   -0.1198 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6997   -1.8076   -0.0997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.6041   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824   -0.0467    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717   -0.5170   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632    0.1861    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919    0.3299   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358    0.3023   -1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8203    0.1306    1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5682   -2.5997   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    1.6171   -0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626   -0.1653    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1267    0.8288   -1.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1113    0.6568    1.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7645    1.0060    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081    2.4121   -0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1080    0.6298    0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    1.9186    0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865    1.2604    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5093   -2.5416   -0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519    0.1693   -2.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246   -0.1374    2.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824    2.0273   -1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0054   -1.1633    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6248    1.0966   -2.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6031    0.7923    2.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8898    3.4127   -0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0208    0.2462    1.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9730    2.5371    0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3217    1.7035   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 32  1  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2340👍, 0💬