Molecule FYI-1002370

Home > Molecule

A

Molecule Summary:

ID: FYI-1002370
Names:
InChIKey: ZCOMUCBCTZGCEK-UHFFFAOYSA-N
SMILES: Nc2cc(Cn1ncnn1)ccn2

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

Molecule ID: FYI-1002370 Edit

Molecule Structure InChIKey: ZCOMUCBCTZGCEK-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc(Cn1ncnn1)ccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002370
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.8530    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.0694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.8165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.1076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    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  1  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
 12 11  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 13  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002370-3D
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.2988   -0.0497    0.1776 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9117   -0.0429    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989   -1.2345    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009   -1.1969   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0107   -2.4654    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871   -2.9847   -1.2954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4199   -2.6803   -1.9697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3023   -3.5273   -2.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1878   -4.3101   -2.9473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420   -3.9666   -1.8408 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0508   -0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277    1.1853   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    1.1603    0.0129 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -0.6180   -0.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    0.9204    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305   -2.1791    0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9719   -2.2976    0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4892   -3.2460    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388   -3.5829   -3.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    0.1470   -0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4678    2.1774   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 13  2  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 1927👍, 0💬