Molecule FYI-1007510

A

Molecule Summary:

ID: FYI-1007510
Names:
InChIKey: CZWBRLHPJVYIHO-UHFFFAOYSA-N
SMILES: NC1=CN(OCP(=O)(O)O)Cn3c1nc2c(N)cccc23

Received at FYIcenter.com on: 2024-02-27

Molecule ID: FYI-1007510 Edit

Molecule Structure InChIKey: CZWBRLHPJVYIHO-UHFFFAOYSA-N

Molecule Structure SMILES String: NC1=CN(OCP(=O)(O)O)Cn3c1nc2c(N)cccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007510
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    6.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    7.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7183    3.9830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5411    5.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9715    6.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7943    7.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    2.7040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6802    2.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2497    1.2789    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.6420    1.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    0.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8193    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  2  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
  3 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
  7 11  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007510-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.8719   -0.4912   -0.3730 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2433   -0.3202   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8234    0.8932   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1679    1.1353   -0.0476 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430    2.4253   -0.0903 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061    3.2475    0.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825    4.8892    1.0452 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852    5.3931    1.8595 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8056    4.2940    2.1815 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165    6.4412    1.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1277    0.0300   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4760   -1.2767   -0.1169 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100   -1.4570   -0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -2.7431   -0.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161   -3.4022   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677   -4.7919    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2312   -5.7383    0.1225 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6044   -5.2141    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6577   -4.2932   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4201   -2.9171   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0849   -2.5069   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3459    0.2473    0.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109   -1.4180   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001    1.7735   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8505    2.7519    1.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0392    3.4841    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4530    4.4527    3.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9553    6.8937    1.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7879    0.0584    0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    0.0939   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279   -5.2622    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3192   -6.4977   -0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295   -6.2756    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6801   -4.6612   -0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2434   -2.2120   -0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

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2024-03-07, 145👍, 0💬