Molecule FYI-1015477

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A

Molecule Summary:

ID: FYI-1015477
Names:
InChIKey: CLQUSBKVNAZFMI-UHFFFAOYSA-N
SMILES: CCCCNC2CN=C(C(=O)Nc1ccc(O)cc1)C=N2

Received at FYIcenter.com on: 2025-09-04

Molecule ID: FYI-1015477 Edit

Molecule Structure InChIKey: CLQUSBKVNAZFMI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCNC2CN=C(C(=O)Nc1ccc(O)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015477
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  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  2  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015477-3D
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
    0.7755    0.8650   -1.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    0.8778   -2.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223    1.8530   -1.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4427    1.8568   -1.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    2.8330   -0.3141 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5052    2.8534   -0.4263 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0506    3.3375   -1.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150    4.7187   -2.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6102    5.4855   -1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2152    6.9414   -1.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3662    7.6455   -0.2303 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7075    7.3013   -2.4523 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2820    8.6001   -2.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6040    9.7321   -2.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1156   10.9957   -2.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048   11.1320   -3.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839   12.3418   -3.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018   10.0293   -4.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5001    8.7638   -3.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    4.9762    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0188    3.7305    0.6298 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502    0.1567   -2.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591    1.8549   -2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598    0.5645   -0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5696    1.1565   -3.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746   -0.1335   -1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499    1.5708   -0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5282    2.8620   -1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703    2.1064   -2.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    0.8538   -1.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    2.5898    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060    1.8515   -0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7243    2.6665   -2.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1476    3.3087   -1.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5579    6.5356   -3.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2533    9.6695   -1.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3809   11.8457   -1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0452   12.9962   -3.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3647   10.1522   -5.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2372    7.9155   -4.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3833    5.7489    0.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$

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2025-09-24, 1037👍, 0💬