Molecule FYI-1008544

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A

Molecule Summary:

ID: FYI-1008544
Names:
InChIKey: FTVMJPWKXGPAGV-UHFFFAOYSA-N
SMILES: C#CCNc1nc(C(C)C)nc(N(C)C)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008544 Edit

Molecule Structure InChIKey: FTVMJPWKXGPAGV-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCNc1nc(C(C)C)nc(N(C)C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008544
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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  2  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  3  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008544-3D
FYIcenter.com

 33 33  0     0  0  0  0  0  0999 V2000
    1.2068   -2.4856    0.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -0.2142    0.0029 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0529    1.4414   -0.0088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.8906   -0.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1881    0.7503   -0.0195 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846    2.1483    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374    1.0500   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2583    2.0971   -1.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448    2.1016    1.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085   -1.1310   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8159    0.4175   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -2.8356    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144   -3.5408    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2244   -0.2340   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5431    0.4035    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6257    0.9219    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8601    3.1131   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390    1.1692   -1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9622    2.9360   -1.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438    2.1544   -2.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.1738    1.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206    2.1620    2.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9485    2.9405    1.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7664   -3.9199    0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056   -2.4419    0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1171   -2.4345   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6719   -4.5359    0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220   -3.4784   -0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4184   -3.4751    0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100    1.7397   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1477   -0.8601   -0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268   -0.8920    0.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5859    1.3819    0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  2  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  3  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1362👍, 0💬