Molecule FYI-1014091

A

Molecule Summary:

ID: FYI-1014091
Names:
InChIKey: IQGDPBIHLMKQQF-UHFFFAOYSA-N
SMILES: Oc4cc(c1ccccc1)nc(SC3Cc2ccccc2C3)n4

Received at FYIcenter.com on: 2025-02-27

Molecule ID: FYI-1014091 Edit

Molecule Structure InChIKey: IQGDPBIHLMKQQF-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc4cc(c1ccccc1)nc(SC3Cc2ccccc2C3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014091
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.9530    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.1000    0.0000 N   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  1  0  0  0  0
  6  5  2  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  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
 23 12  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014091-3D
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    1.4739    0.4467    0.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232    0.3595   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677   -0.8456    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348   -0.8404   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5964   -2.1182   -0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -3.3024   -0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6415   -4.5531   -0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8338   -4.6563    0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4346   -3.5045    0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270   -2.2465    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4878    0.3163   -0.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    1.4498   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5598    2.9153   -1.0653 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3969    4.3014   -0.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850    4.5197   -1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6239    5.8040   -0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894    6.8465   -1.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9526    8.0896   -0.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260    8.2549    0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3591    7.1635    0.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686    5.9346    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964    4.6535    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4188    1.5154   -0.3351 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183   -0.4439    0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   -1.7596    0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069   -3.2604   -1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1611   -5.4455   -0.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2906   -5.6280    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3733   -3.5856    1.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3155   -1.3709    0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600    5.1230   -1.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435    3.7278   -1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994    4.7017   -2.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3460    6.7454   -2.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494    8.9523   -1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596    9.2509    0.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828    7.2998    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    3.9315    1.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    4.8105    1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  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 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 656👍, 0💬