Molecule FYI-1001205

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A

Molecule Summary:

ID: FYI-1001205
SMILES: CC(=CCNC1=NC=NC2=C1NC=N2)CO

Received at FYIcenter.com on: 2022-03-11

Molecule ID: FYI-1001205 Edit

Molecule Structure SMILES String: CC(=CCNC1=NC=NC2=C1NC=N2)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1001205
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.3158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.3158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2342    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8036    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1960    0.1464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6158    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001205-3D
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.8482    1.0399   -2.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358    0.4498   -1.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033   -0.7091   -1.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668   -1.6243   -1.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3420   -2.5911   -2.4072 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8451   -3.8046   -2.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5340   -4.1183   -2.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1365   -5.3393   -3.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900   -6.3363   -3.7158 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1948   -6.0195   -3.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878   -4.7935   -3.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0424   -4.9025   -3.4870 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3079   -6.1539   -3.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -6.8501   -4.1482 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3716    1.2639   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7662    1.3644   -0.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678    0.4302   -3.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9005    1.1425   -2.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833    2.0315   -2.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865   -1.0558    0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157   -1.0870   -2.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5502   -2.0840   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -2.1916   -3.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0708   -5.5372   -3.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229   -4.1979   -3.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3149   -6.5000   -4.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2262    0.8212    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9463    2.2722   -0.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1186    0.4599   -0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  3  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 221👍, 0💬