Molecule FYI-1001988

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Molecule Summary:

ID: FYI-1001988
SMILES: [H+].C1=NC2=C(N1COCCO)N=C(NC2=O)N

Received at FYIcenter.com on: 2023-01-11

Molecule ID: FYI-1001988 Edit

Molecule Structure SMILES String: [H+].C1=NC2=C(N1COCCO)N=C(NC2=O)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001988
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    9.9641    3.1308    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
    0.5904    4.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0659    3.0409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1385    2.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3257    2.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870    4.2413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8869    5.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2656    5.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1655    6.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5442    5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4441    6.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5618    2.2257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6107    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    0.0847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    0.1693    0.0000 N   0  0  0  0  0  0  0  0  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
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001988-3D
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.1858    0.1094    2.4480 H   0  3  0  0  0  0  0  0  0  0  0  0
    2.2206    0.0773   -0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    1.1905   -0.4054 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896    0.7022   -0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217   -0.6462   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953   -1.0635   -0.2438 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0065   -2.4276   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -3.2051   -1.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044   -4.5200   -1.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590   -5.3735   -2.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329   -6.6890   -2.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985   -1.3993   -0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1087   -0.7570   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1699    0.6158   -0.1384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0223    1.3718   -0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0766    2.5874   -0.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2978   -1.5131    0.0615 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3013    0.1052   -0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820   -2.8433    0.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1201   -2.3945   -0.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810   -4.9871   -0.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1163   -4.5199   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407   -4.9407   -3.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497   -5.3941   -2.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861   -6.6711   -2.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983    1.0956   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2573   -2.5410    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2160   -1.0462    0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-05, 3142👍, 0💬