Molecule FYI-1008621

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A

Molecule Summary:

ID: FYI-1008621
Names:
InChIKey: CJRCQIKVDNTHCO-UHFFFAOYSA-N
SMILES: S=c1[nH]cnc2sccc12

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008621 Edit

Molecule Structure InChIKey: CJRCQIKVDNTHCO-UHFFFAOYSA-N

Molecule Structure SMILES String: S=c1[nH]cnc2sccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008621
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    4.6776    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0367    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  2  0  0  0  0
  7  2  1  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
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008621-3D
FYIcenter.com

 14 15  0     0  0  0  0  0  0999 V2000
    2.3511   -0.7984   -0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246    2.1716   -0.0002 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -0.5218   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0767   -1.9313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    0.5260    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6418   -0.7708    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946    1.4933    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    0.9074   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3611   -1.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0611    2.5675    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0175   -0.4951   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012    1.4040   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0605   -2.6010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 163👍, 0💬