Molecule FYI-1009035

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A

Molecule Summary:

ID: FYI-1009035
Names:
InChIKey: JIZYWIPXJSTKCP-UHFFFAOYSA-N
SMILES: Cc2ccnc(NCC(CO)C1CCOC1)c2

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009035 Edit

Molecule Structure InChIKey: JIZYWIPXJSTKCP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2ccnc(NCC(CO)C1CCOC1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009035
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2747    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6543    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  1  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009035-3D
FYIcenter.com

 37 38  0     1  0  0  0  0  0999 V2000
   -4.5585    1.5125   -0.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4119   -3.2886   -0.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3781   -0.3200   -0.1336 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2187   -0.4197    1.3325 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456    0.2890   -0.1664 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9507   -1.0385    0.2624 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6126    1.3237    0.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034    0.2007   -0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448    2.2874    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5372   -0.8719    0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9772   -2.0592   -0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7235   -0.1015    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4803    0.4349   -0.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324    0.6592   -0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368   -0.1877    1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3786    0.3447    0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6934    1.2351   -1.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794    0.7155   -1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -1.4567    1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6603    1.8198    1.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9799    0.8776    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1262   -0.0958   -1.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5763   -0.4897    0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1920    2.8098    1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1837    3.0321   -0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -0.2274    1.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1639   -1.8436    1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168   -1.7104   -1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0050   -2.2647   -1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664   -0.2201   -1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4524   -3.9048   -1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391    0.6743   -1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9136   -0.4505    2.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4291    0.5051    0.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0849    0.4360   -2.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.9376   -2.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377    1.7896   -1.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 31  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 30  1  0  0  0  0
  4 12  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1216👍, 0💬