Molecule FYI-1004866

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A

Molecule Summary:

ID: FYI-1004866
Names:
InChIKey: PSANZGLIJSQVBZ-UHFFFAOYSA-N
SMILES: Cc3cccc(/N=C\\2Cc1ccccc1N2)c3C

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004866 Edit

Molecule Structure InChIKey: PSANZGLIJSQVBZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cccc(/N=C\2Cc1ccccc1N2)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004866
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.9530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    2.1076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    1.4000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17  6  2  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004866-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.9757    1.3294    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6323    0.6475    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182    1.4450   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7677    0.8624   -0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789   -0.5234   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696   -1.3695   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -2.7828   -0.0634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9290   -3.3720    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730   -4.9214    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -5.1188    1.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1476   -6.2727    1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4108   -6.1455    1.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9254   -4.8833    2.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1696   -3.7294    2.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9068   -3.8677    1.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0344   -2.8538    1.1054 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5095   -0.7706    0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7619   -1.6127    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8675    2.4233    0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5469    1.0682   -0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377    1.0553    0.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430    2.5296    0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551    1.4831   -0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8611   -0.9408   -0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704   -5.3848    0.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0697   -5.2689   -0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -7.2485    1.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0157   -7.0324    2.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9252   -4.8025    2.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5773   -2.7515    2.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0085   -1.9696    1.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582   -2.6862    0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527   -1.3791    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665   -1.4136   -0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  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 17  2  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 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-15, 2424👍, 0💬