Molecule FYI-1008787

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A

Molecule Summary:

ID: FYI-1008787
Names:
InChIKey: JVGPRASOJVWZHF-UHFFFAOYSA-N
SMILES: Nc1ncnc2CCNCc12

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

Molecule ID: FYI-1008787 Edit

Molecule Structure InChIKey: JVGPRASOJVWZHF-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncnc2CCNCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008787
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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
    3.6373    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
    1.2125    0.7000    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
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008787-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    2.3933   -0.9609    0.3435 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    1.8465    0.0354 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3589    0.0926   -0.0042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7047   -2.1767   -0.0636 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6892    1.3766    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6816    0.2921   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122   -0.4613    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0809   -1.4864   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610    0.9025    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530   -0.8055   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9702    1.3805    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099    2.2546   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031    1.6885    1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451    0.1365   -1.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984    0.6195   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8553   -2.3178    0.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -1.8853   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -1.6504    0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587    2.1231    0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917   -2.8171   -0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -2.3860   -0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
  3 10  2  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1219👍, 0💬