Molecule FYI-1004028

Home > Molecule

A

Molecule Summary:

ID: FYI-1004028
Names:
InChIKey: TXCXZVFDWQYTIC-UHFFFAOYSA-N
SMILES: Sc2nnc(c1ccncc1)o2

Received at FYIcenter.com on: 2023-08-08

Molecule ID: FYI-1004028 Edit

Molecule Structure InChIKey: TXCXZVFDWQYTIC-UHFFFAOYSA-N

Molecule Structure SMILES String: Sc2nnc(c1ccncc1)o2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004028
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.2594    6.2203    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    6.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    5.0494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    4.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.4253    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
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  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  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004028-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
   -4.0314   -1.2230   -0.0002 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428   -0.7537   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3011    1.4916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6036    1.1098    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5088   -0.3627   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7546    0.1151    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779    0.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368   -1.1891    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6479    1.1807   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101   -1.3728    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029    0.8910   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892   -2.0589    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153    2.2131   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3430    1.8009    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373   -2.3702    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7409    1.6864   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-17, 2392👍, 0💬