70633599
  -OEChem-05072400292D

 55 57  0     1  0  0  0  0  0999 V2000
    8.4752    1.4874    0.0000 Si  0  4  0  0  0  0  0  0  0  0  0  0
    5.9405   -0.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    1.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    0.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    0.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.1444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    1.0337    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9422    0.7230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4026    0.2257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889   -0.5844    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7523    1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880    1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3724    2.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1824    3.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1980    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4908    0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0796    4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8896    4.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    1.4713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    0.4406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    0.7786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -1.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    1.8228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    1.7408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    2.4453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    0.7649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9540    0.8260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1015    3.0399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7761    2.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4532    2.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7787    3.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5616    1.1633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7003    2.0291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8345    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8741    0.0207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5546   -0.5323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1075    0.1482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8088    4.6210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    3.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2532    4.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3918    5.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5260    5.1518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
 11  3  1  6  0  0  0
  3 34  1  0  0  0  0
 13  4  1  1  0  0  0
  4 35  1  0  0  0  0
  5 15  1  0  0  0  0
 14  6  1  1  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  2  0  0  0  0
  7 20  1  0  0  0  0
  8 16  2  0  0  0  0
  8 26  1  0  0  0  0
  9 24  1  0  0  0  0
  9 26  2  0  0  0  0
 10 24  1  0  0  0  0
 10 54  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  1  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  RAD  1   1   2
M  END
> <PUBCHEM_COMPOUND_CID>
70633599

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
477

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAgAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHhAQCEAACBzhtwZH8L9MFgGgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H28N5O4Si/c1-4-5-6-27(10(2)3)25-7-11-13(23)14(24)17(26-11)22-9-21-12-15(18)19-8-20-16(12)22/h8-11,13-14,17,23-24H,4-7H2,1-3H3,(H2,18,19,20)/t11-,13-,14+,17-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MYKJKSXZNJGITL-MBMVNNNZSA-N

> <PUBCHEM_EXACT_MASS>
394.19105593

> <PUBCHEM_MOLECULAR_FORMULA>
C17H28N5O4Si

> <PUBCHEM_MOLECULAR_WEIGHT>
394.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[Si](C(C)C)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[Si](C(C)C)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

> <PUBCHEM_CACTVS_TPSA>
129

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.19105593

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  15  5
16  20  8
20  24  8
11  3  6
13  4  5
14  6  5
6  16  8
6  17  8
7  17  8
7  20  8
8  16  8
8  26  8
9  24  8
9  26  8

$$$$