Molecule FYI-1015471

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A

Molecule Summary:

ID: FYI-1015471
Names:
InChIKey: VRMNBMLYQGJKQI-UHFFFAOYSA-N
SMILES: CCCCNC2CN=C(C(=O)Nc1ccc(C)cc1)C=N2

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

Molecule ID: FYI-1015471 Edit

Molecule Structure InChIKey: VRMNBMLYQGJKQI-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015471
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 C   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-1015471-3D
FYIcenter.com

 43 44  0  0  1  0  0  0  0  0999 V2000
    0.8099   -2.6792    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240   -2.7847    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9615   -2.1753   -1.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -2.3223   -1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -1.7954   -2.2317 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5491   -1.9026   -2.2015 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0998   -3.3601   -2.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6694   -4.1306   -3.3925 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790   -3.3890   -4.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3066   -4.0026   -5.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4855   -3.2936   -6.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7807   -5.2804   -5.7524 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3435   -5.9979   -6.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7048   -5.6232   -8.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531   -6.2501   -9.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400   -7.2863   -9.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5632   -7.8818  -10.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9364   -7.7294   -7.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   -7.0975   -6.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1012   -1.9352   -4.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0701   -1.1937   -3.3745 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799   -3.1176    1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014   -3.2134   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920   -1.6338    0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074   -3.8408    0.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019   -2.2771    1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862   -1.1165   -1.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738   -2.6817   -1.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116   -3.3865   -0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680   -1.7966   -0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729   -0.8046   -2.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9411   -1.3843   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7734   -3.8921   -1.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1964   -3.3446   -2.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5865   -5.6523   -4.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4184   -4.8279   -8.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4320   -5.8961  -10.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9461   -7.4429  -11.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879   -7.6791  -10.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322   -8.9608  -10.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381   -8.5513   -7.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2161   -7.4466   -5.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4566   -1.5274   -5.3928 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
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

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2025-11-06, 536👍, 0💬