641600
  -OEChem-05221304482D

 24 25  0     1  0  0  0  0  0999 V2000
    2.0000   -1.0704    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    5.1985   -1.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870   -1.6864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201   -1.9176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914    1.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741    0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436    1.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914   -0.3129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2610    0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675   -0.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436   -0.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1061    1.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723    2.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9450    2.4095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1901    2.4095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    0.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    0.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627    2.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289    1.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0995   -0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691    0.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691    0.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7974   -0.8595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  1  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
641600

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
156

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAIAAAAAAAAAAAAWAAAAAAAAAAAAAYAAABgAAAHgCICAAACByhlgIAgBAAAgCiAQRgQAQABAAgAAAQGAAwSAgCNgIAkACAUAAkgAAIWAOQwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4R)-4,5,6,7,8,9-hexahydrocycloocta[d]selenadiazol-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(4R)-4,5,6,7,8,9-hexahydrocycloocta[d]selenadiazol-4-ol

> <PUBCHEM_IUPAC_NAME>
(4R)-4,5,6,7,8,9-hexahydrocycloocta[d]selenadiazol-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4R)-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]selenadiazol-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4R)-4,5,6,7,8,9-hexahydrocycloocta[d]selenadiazol-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12N2OSe/c11-6-4-2-1-3-5-7-8(6)9-10-12-7/h6,11H,1-5H2/t6-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BLMTZBROUHLTAE-ZCFIWIBFSA-N

> <PUBCHEM_EXACT_MASS>
232.011484

> <PUBCHEM_MOLECULAR_FORMULA>
C8H12N2OSe

> <PUBCHEM_MOLECULAR_WEIGHT>
231.15368

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C2=C(CC1)[Se]N=N2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC[C@H](C2=C(CC1)[Se]N=N2)O

> <PUBCHEM_CACTVS_TPSA>
46

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.011484

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
1  12  8
1  4  8
11  12  8
9  2  5
3  11  8
3  4  8

$$$$