Marvin  11170617012D          

 10 11  0  0  0  0            999 V2000
    2.0945    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7846    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7846   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:42946

> <NAME>
glycoluril

> <STAR>
3

> <SECONDARY_ID>
CHEBI:37082; CHEBI:42940

> <SYNONYM>
glyoxaldiureine; glyoxalbiuret; glycoluril; diurea glyoxalate; acetyleneurea; acetylenediureine; acetylene carbamide

> <IUPAC_NAME>
tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

> <FORMULA>
C4H6N4O2

> <MASS>
142.11620

> <MONOISOTOPIC_MASS>
142.04908

> <CHARGE>
0

> <SMILES>
O=C1NC2NC(=O)NC2N1

> <INCHI>
InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)

> <INCHIKEY>
VPVSTMAPERLKKM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
128826

> <CAS_REGISTRY_NUMBER>
496-46-8

> <CHEMIDPLUS>
496-46-8

> <DRUGBANK_ACCESSION>
DB03533

> <NIST_CHEMISTRY_WEBBOOK>
496-46-8

$$$$