Molecule FYI-1002368

Home > Molecule

A

Molecule Summary:

ID: FYI-1002368
Names:
InChIKey: UKBDRCXEQBINPK-UHFFFAOYSA-N
SMILES: CNc2cc(Cn1cnnn1)ccn2

Received at FYIcenter.com on: 2023-03-09

Molecule ID: FYI-1002368 Edit

Molecule Structure InChIKey: UKBDRCXEQBINPK-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc2cc(Cn1cnnn1)ccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002368
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.0656    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 14  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002368-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.0461   -1.1921   -0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4854   -0.1223    0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1743    1.0981    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7219    2.1738    0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    3.3972    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777    4.5507    1.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    4.5566    2.9047 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0431    3.5226    3.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    4.0093    4.8135 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3320    5.3717    4.7282 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913    5.7135    3.5666 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    3.5039   -0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8819    2.4032   -0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2352    1.2186   -0.8081 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -2.1249   -0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082   -1.3579   -0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9106   -0.9881   -1.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354   -0.3891    1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8411    2.0489    1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8955    4.5356    1.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2196    5.4986    1.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0089    2.4813    3.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0976    4.4221   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7340    2.4383   -1.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  4 19  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
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 2125👍, 0💬