Molecule FYI-1001477

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A

Molecule Summary:

ID: FYI-1001477
SMILES: CC(NC(=O)C=1C=CN=C(C1)C2=NC=CN2)C=3C=C4CCCCN4N3

Received at FYIcenter.com on: 2022-08-09

Molecule ID: FYI-1001477 Edit

Molecule Structure SMILES String: CC(NC(=O)C=1C=CN=C(C1)C2=NC=CN2)C=3C=C4CCCCN4N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001477
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.2747    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0799    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    8.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    9.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623   11.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623   12.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623   12.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623   11.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    9.9087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9297    8.5773    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  1  0  0  0  0
  5  4  2  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 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  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
 16 12  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 25 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001477-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    0.7908   -0.1296    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262   -0.1495    0.0036 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8516   -1.4132   -0.4962 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6258   -2.5890    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9850   -2.6445    1.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1822   -3.8457   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3895   -3.8748   -1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817   -5.1118   -1.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583   -6.2868   -1.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0769   -6.2306   -0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100   -5.0418   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354   -7.5194   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2596   -7.7522    0.2782 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040   -9.1154    0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1987   -9.7339   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331   -8.7151   -0.6173 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8468    1.0185   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6222    2.3839   -0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    3.0872   -1.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9772    4.5242   -1.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6121    4.9534   -3.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    3.9037   -4.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2754    2.4378   -3.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    2.1626   -2.4128 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067    0.8868   -1.9751 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657   -0.9137    0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -0.2698   -1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    0.8255    0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6831   -0.0404    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3267   -1.3690   -1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9596   -2.9756   -1.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335   -5.1952   -1.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735   -5.0478    0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137   -9.5765    0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458  -10.7734   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408   -8.7789   -1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028    2.7874    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122    5.1096   -1.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9122    4.7945   -1.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450    5.7427   -3.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455    5.4679   -3.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3283    4.2085   -4.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8395    3.9646   -5.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    2.0720   -3.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7639    1.8314   -4.4313 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 17  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 119👍, 0💬