Molecule FYI-1007213

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A

Molecule Summary:

ID: FYI-1007213
Names:
InChIKey: QQWWDSRPZBNPEE-UHFFFAOYSA-N
SMILES: O=C2COc1nccnc1N2

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007213 Edit

Molecule Structure InChIKey: QQWWDSRPZBNPEE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2COc1nccnc1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007213
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    1.2124    2.8000    0.0000 N   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
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007213-3D
FYIcenter.com

 16 17  0     0  0  0  0  0  0999 V2000
   -0.5595   -1.6409    0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207    0.6662    0.0962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0657    1.1192    0.0480 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704    1.5046   -0.0394 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036   -1.2595    0.0480 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436    0.6289    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8076   -1.1630   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598   -0.7356    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1571    0.2838   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    0.9775   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -0.3811   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819   -1.7902    0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8605   -1.3108   -1.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    2.1222    0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290    1.6852   -0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192   -0.8058   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

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2024-02-18, 142👍, 0💬