Molecule FYI-1008776

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A

Molecule Summary:

ID: FYI-1008776
Names:
InChIKey: RMTCWOLYVMOKBR-UHFFFAOYSA-N
SMILES: Cc1cc(N(C)C)nc(N)n1

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

Molecule ID: FYI-1008776 Edit

Molecule Structure InChIKey: RMTCWOLYVMOKBR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(N(C)C)nc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008776
FYIcenter.com

 11 11  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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 C   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 N   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  2  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  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008776-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    2.1266   -0.0560    0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082    1.2039   -0.0864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0171    0.0711   -0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035    2.4086   -0.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7113    0.0002    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -1.1954    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488   -1.0980    0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104   -1.2089   -0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8975    1.0453    0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    1.1665   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743   -2.3373    0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085   -2.1617    0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8305   -2.0293    0.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   -0.9695   -0.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432   -1.5579   -1.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5046    1.3633    1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.8995   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9463    0.7682    0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631   -2.8684    1.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2432   -2.1004    0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9606   -2.9998   -0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    3.2594   -0.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    2.4322   -0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

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2024-04-29, 816👍, 0💬