Molecule FYI-1008950

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Molecule Summary:

ID: FYI-1008950
Names:
InChIKey: ZFZGZMGKKUHSTG-UHFFFAOYSA-N
SMILES: CCc1cc(N)nc(C)n1

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

Molecule ID: FYI-1008950 Edit

Molecule Structure InChIKey: ZFZGZMGKKUHSTG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1cc(N)nc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008950
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008950-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
   -0.3644    1.1755   -0.1980 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372    0.0453    0.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8148   -2.3351    0.1411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4289   -0.0415   -0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557   -0.0331   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770   -1.2300   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243   -0.0530    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644    1.1416    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0815   -1.1286    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6524    2.4591    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7068    0.8474   -1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7118   -0.9053   -1.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -2.1867   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -0.9472    1.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2980   -0.0438    0.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9898    0.8236    1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332    2.3539   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    3.1544   -0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668    2.8855    1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5531   -2.8967    0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8213   -2.8914   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2024-05-29, 982👍, 0💬