Molecule FYI-1008677

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A

Molecule Summary:

ID: FYI-1008677
Names:
InChIKey: VLGIIWGQCIFWPV-UHFFFAOYSA-N
SMILES: Cc1ccnc(N)c1C(=O)O

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

Molecule ID: FYI-1008677 Edit

Molecule Structure InChIKey: VLGIIWGQCIFWPV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccnc(N)c1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008677
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2124    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
    3.6373    0.0000    0.0000 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   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  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008677-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
   -2.2411   -0.0734   -1.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032   -0.0792    1.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8675   -1.1783   -0.0036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528   -2.4155    0.0264 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162    1.2105    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490   -0.0104    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5159   -1.1657    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8063    1.2384   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3317    2.5034    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.0273   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7072   -0.0572    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615    2.1701   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9608    2.5770    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    3.3650    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    2.5913   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636   -0.0056   -0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0456   -2.4843    0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4343   -3.2409    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2215   -0.1034   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2024-04-29, 165👍, 0💬