Molecule FYI-1008073

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A

Molecule Summary:

ID: FYI-1008073
Names:
InChIKey: OGLCWGIUVQHPPS-UHFFFAOYSA-N
SMILES: Nc3nc(NCc1ccc(Cl)cc1)c2ccccc2n3

Received at FYIcenter.com on: 2024-04-11

Molecule ID: FYI-1008073 Edit

Molecule Structure InChIKey: OGLCWGIUVQHPPS-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3nc(NCc1ccc(Cl)cc1)c2ccccc2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1008073
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   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  1  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  4  2  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
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 20  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008073-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
    6.7105   -1.0952   -0.0402 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1912    0.2107    0.0303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715    1.7697    0.0088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8652    1.0313   -0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318    3.3158   -0.0156 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1716    1.2469    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977   -0.5894    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010    0.4753    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568    0.6622    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4607   -0.2509   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863   -1.9336    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3883   -1.2898   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2082    0.3707    1.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902    0.4109   -1.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347   -2.9515    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988    1.9718   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9872   -2.6289   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4931   -0.1718    1.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751   -0.1314   -1.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1265   -0.4227   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477    1.9074   -0.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0580    1.8807    0.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616   -0.6546    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6419   -2.2299    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4530   -1.0640   -0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7242    0.5598    2.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922    0.6317   -2.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3215   -3.9911    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7341   -3.4175   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882   -0.3948    2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9562   -0.3227   -2.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3217    3.5190   -0.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6465    4.0586   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  2  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  2  0  0  0  0
  5 16  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

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