Molecule FYI-1000184

Home > Molecule

A

Molecule Summary:

ID: FYI-1000184
SMILES: CC(C)CC1=NC=CN=C1OC

Received at FYIcenter.com on: 2020-11-09

Molecule ID: FYI-1000184 Edit

Molecule Structure SMILES String: CC(C)CC1=NC=CN=C1OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000184
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4221   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000184-3D
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.6874   -1.3740    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    0.0316   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877    0.2341   -0.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    1.1525    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4390    1.0358    1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7004    0.2442    2.1938 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    0.1155    2.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091    0.7482    1.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7734    1.5457    0.7873 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717    1.6846    0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602    2.5147   -0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3064    3.1455   -1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559   -2.1317   -0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2131   -1.4765    1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504   -1.6122    0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225    0.0902   -1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3986    0.1846    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108   -0.5394   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049    1.2065   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3915    1.1520    1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8052    2.1305    0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2002   -0.5208    3.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0473    0.6393    2.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590    3.8909   -1.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9203    2.4150   -1.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9015    3.6777   -0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-12-02, 1663👍, 0💬