Molecule FYI-1016155

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Molecule Summary:

ID: FYI-1016155
Names:
InChIKey: XSCDSAMVQLKDNI-UHFFFAOYSA-N
SMILES: Cn1nc(C(C)(C)C)cc1N

Received at FYIcenter.com on: 2025-11-28

Molecule ID: FYI-1016155 Edit

Molecule Structure InChIKey: XSCDSAMVQLKDNI-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nc(C(C)(C)C)cc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1016155
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.2129    3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    0.9369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8945    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    3.3969    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  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016155-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
    1.5754   -0.6379   -0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -1.0716   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970    1.3314    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752    0.0068    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3373    0.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367    0.7116   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4365    0.7052    1.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4419   -1.4324   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107    1.2100   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942    0.7210   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   -1.6081    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316    0.6697   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1487    1.7687   -1.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0597    0.2422   -2.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480    1.7620    1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314    0.6636    1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0597    0.2309    2.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5382   -1.4303   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1151   -1.9889   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1153   -1.9932    0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079    2.2468    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -2.6175   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498   -1.4581   -0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472   -1.4591    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    2.3432    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7746    0.8214    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  2  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 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 10  2  0  0  0  0
  9 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
$$$$

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2026-01-24, 367👍, 0💬