Molecule FYI-1003240

Home > Molecule

A

Molecule Summary:

ID: FYI-1003240
Names:
InChIKey: OOARQNZKJHFUSB-UHFFFAOYSA-N
SMILES: Oc2cccc3ccc(Nc1ccccn1)nc23

Received at FYIcenter.com on: 2023-05-26

Molecule ID: FYI-1003240 Edit

Molecule Structure InChIKey: OOARQNZKJHFUSB-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc2cccc3ccc(Nc1ccccn1)nc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1003240
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8499    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   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  2  0  0  0  0
  6  5  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 18  2  1  0  0  0  0
 18  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003240-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
    1.4548   -2.5834   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3911   -0.0436   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032    1.3999   -0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3180   -0.8389   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6126    0.8905    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7275   -0.2079   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0983    1.2176   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0637    2.1800    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734   -1.4886   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870    2.3524   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0023    0.6822    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550   -1.6959    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5208   -0.6094    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5763    0.4943   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8651    1.0190    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9381    0.1348    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027   -1.2356    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862   -1.6675   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7066    3.0572    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2635    3.3512   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6888    1.5259    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    2.3741   -0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0664   -2.7018    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5951   -0.7663    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0471    2.0891    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9560    0.5127    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9991   -3.3893   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5239   -1.9433    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488   -2.7262   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 27  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1779👍, 0💬