Molecule Editor

Molecule ID: FYI-1015772 Edit

Molecule Structure InChIKey: ARAIATBRBSWLHC-ZJUUUORDSA-N

Molecule Structure SMILES String: Nc4nc(N1CCC1)c3ncn([C@H]2C=C[C@@H](CO)C2)c3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015772
FYIcenter.com

 21 24  0  0  1  0  0  0  0  0999 V2000
   12.4691    4.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1622    5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6604    3.9237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9675    3.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3814    3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2351    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9562    1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8236    2.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9699    3.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1025    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7330    5.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.6481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    5.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    3.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    3.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8097    0.0000    0.0000 N   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
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  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
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  1  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  1  0  0  0
 20 19  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015772-3D
FYIcenter.com

 39 42  0     1  0  0  0  0  0999 V2000
   -5.6500   -1.4910    0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937   -0.1852    0.0944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6261    1.4259   -0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5360    1.9538    0.1414 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8742   -1.7213   -0.1050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4538   -0.9917   -0.1658 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163   -3.2571   -0.2985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0777    1.6040   -0.0594 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8353    0.8591    1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1312    0.3404    0.4077 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4440    1.0106   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8249   -1.0488    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6898    0.2000    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7015    1.0726   -1.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8156    0.3808   -1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194   -0.4467    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0569    0.2437   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    0.5926    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5001   -1.0533    0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062    2.4234    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -1.9117   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715    2.6821    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4109    1.3731   -1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -1.5599   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331   -1.7637    0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0323    0.3493    1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370    0.2994   -0.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3192    1.2564   -2.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4401   -0.0528   -1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7254   -1.0400    1.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6922   -1.7713    0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    3.4680    0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8681   -2.3785    0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -3.9930   -0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -3.4661   -0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 37  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 18  1  0  0  0  0
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  5 21  1  0  0  0  0
  6 17  1  0  0  0  0
  6 21  2  0  0  0  0
  7 21  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  0  0  0  0
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  9 23  1  0  0  0  0
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 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$