2932814
  -OEChem-04182401332D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0084   -0.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0771   -0.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962    0.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962   -1.3885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4935    0.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4935   -1.3842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5472   -0.0795    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5472   -1.0795    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2872    1.1806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0084   -0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0771   -0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    1.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480    0.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480   -1.6995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936    1.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861    0.8146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861   -1.9735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    1.3022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874    0.7689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4170    1.5089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3712    2.3845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    2.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975   -2.1480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956   -2.9292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8768   -2.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    2.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    2.9292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    2.1480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2932814

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
307

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAWAAAAAAAAHgAQAAAACCjBAAQDAAPAAAAIAAAAEAAAAAAAAAAAAIAIAACAQAAAAAAUAAAIFwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methyl-4-sec-butyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

> <PUBCHEM_IUPAC_CAS_NAME>
4-butan-2-yl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-butan-2-yl-6-methyl-1,3,3<I>a</I>,6<I>a</I>-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

> <PUBCHEM_IUPAC_NAME>
4-butan-2-yl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-butan-2-yl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-methyl-4-sec-butyl-1,3,3a,6a-tetrahydroimidaz[4,5-d]imidazole-2,5-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H16N4O2/c1-4-5(2)13-7-6(10-8(14)11-7)12(3)9(13)15/h5-7H,4H2,1-3H3,(H2,10,11,14)

> <PUBCHEM_IUPAC_INCHIKEY>
WDOSPSOAVFMXBH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
212.12732577

> <PUBCHEM_MOLECULAR_FORMULA>
C9H16N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
212.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)N1C2C(NC(=O)N2)N(C1=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C)N1C2C(NC(=O)N2)N(C1=O)C

> <PUBCHEM_CACTVS_TPSA>
64.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.12732577

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
8  4  3
7  5  3
9  13  3

$$$$