Molecule FYI-1000190

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Molecule Summary:

ID: FYI-1000190
SMILES: Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)nc2n1

Received at FYIcenter.com on: 2020-11-11

Molecule ID: FYI-1000190 Edit

Molecule Structure SMILES String: Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)nc2n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000190
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   16.3572    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9572    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2572    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8572    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1572    6.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1572    4.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7878    4.1924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7916    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9204    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8572    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2572    3.2710    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  2  0  0  0  0
 24  6  1  0  0  0  0
 25 24  1  0  0  0  0
 25  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000190-3D
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    3.2647    2.9952    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8771    1.6156    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    0.4591    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740   -0.7681    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -2.0133    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8715   -0.8818    0.0233 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6384   -1.9933   -0.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8927   -1.5066   -0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1015   -2.3707   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0374   -3.5992   -0.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3033   -1.6546   -0.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5054   -2.3238   -0.0826 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5798   -1.5991   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9369   -2.2070   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1018   -3.6087   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3816   -4.1781    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4638   -3.3252    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3061   -1.9590    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0584   -1.3656   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4982   -1.3022    0.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4194   -2.4098    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7699   -3.6980    0.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9573   -0.1243   -0.0136 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6944    0.2528    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1745    1.5181    0.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723    2.9502    0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5614    3.5560   -0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    3.5184    1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8604    0.6425    0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5703   -1.7811    0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735   -2.6401    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8116   -2.5930   -0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673   -0.6392   -0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5336   -0.4959   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2301   -4.2614   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5179   -5.2537    0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9708   -0.2861   -0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9627   -2.3192    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1425   -2.3540   -0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-12-26, 1881👍, 0💬