Molecule Editor

Molecule ID: FYI-1015769 Edit

Molecule Structure InChIKey: OQWZETPYVIVWBB-ZOCYIJKUSA-N

Molecule Structure SMILES String: CC1CCN1c2nc(N)nc3c2ncn3[C@H]4C=C[C@@H](CO)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015769
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
   12.5369    2.1430    0.0000 C   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
   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
   10.6605    3.9237    0.0000 N   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
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    4.6407    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    3.2894    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
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 11 10  2  0  0  0  0
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 17 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015769-3D
FYIcenter.com

 42 45  0     1  0  0  0  0  0999 V2000
   -6.0922   -1.1845    0.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540   -0.2250   -0.2535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7775    1.3647   -0.2537 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849    1.9062   -0.2592 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319   -1.7761   -0.2442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007   -1.0579   -0.2438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0247   -3.3258   -0.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583    0.8232    0.3912 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5368    0.0128    0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6171   -1.1563   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2787    1.5414   -0.2536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9694    0.8860    0.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3218    0.3663    0.4425 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1746   -0.4957   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904    1.0023    1.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9809    0.8992   -1.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$