Molecule FYI-1007527

Home > Molecule

A

Molecule Summary:

ID: FYI-1007527
Names:
InChIKey: UXXNSWVAMLZUPQ-UHFFFAOYSA-N
SMILES: Clc3ccn2c(c1ccccc1)nnc2n3

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007527 Edit

Molecule Structure InChIKey: UXXNSWVAMLZUPQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccn2c(c1ccccc1)nnc2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007527
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    9.0246    1.3573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6552    1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    2.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    4.9164    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3490    0.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    0.6080    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  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007527-3D
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.0053   -0.2817   -0.0097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7265   -0.1454   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3304    1.2192   -0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696    1.2591   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3932    0.0718   -0.0499 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7515   -0.2014   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8426    0.7789   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7552    2.0055    0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7749    2.9546    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9210    2.6683   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    1.4261   -0.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0249    0.4871   -0.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9067   -1.5140   -0.0305 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6669   -2.1078   -0.0145 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7522   -1.1629   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884   -1.2602    0.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    2.0916   -0.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2122    2.1907   -0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9004    2.2427    1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6757    3.9145    1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7150    3.4064   -0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9648    1.1869   -1.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1472   -0.4783   -1.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 150👍, 0💬