62277
  -OEChem-05241304252D

 33 33  0     1  0  0  0  0  0999 V2000
    5.5345    2.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6867    0.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -1.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9010    0.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6716   -1.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5247   -2.2170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    0.0785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068    0.3573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    1.6174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.9299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2558    0.6663    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9467    1.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500    1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    2.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4147   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737   -1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8568    1.2674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6588   -1.5041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0573   -0.8138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2410    1.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4614    1.4082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162    2.6982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880    3.0224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8265   -0.5150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -2.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3618    1.1323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -1.9296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4874   -2.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537   -2.8235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 15  1  0  0  0  0
  3 28  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5 17  1  0  0  0  0
  5 30  1  0  0  0  0
  6 18  2  0  0  0  0
  7 19  1  0  0  0  0
  7 33  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62277

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
376

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAYBAAPAAgAIAAEQEAAAAAAAAAAAAICIAAGAUAAAACAQAAAIByIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[1,3-bis(hydroxymethyl)-2,5-dioxo-imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-1,3-bis(hydroxymethyl)urea

> <PUBCHEM_IUPAC_NAME>
1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[1,3-bis(hydroxymethyl)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2,5-diketo-1,3-dimethylol-imidazolidin-4-yl)-1,3-dimethylol-urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)

> <PUBCHEM_IUPAC_INCHIKEY>
SOROIESOUPGGFO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-2.5

> <PUBCHEM_EXACT_MASS>
278.086249

> <PUBCHEM_MOLECULAR_FORMULA>
C8H14N4O7

> <PUBCHEM_MOLECULAR_WEIGHT>
278.21936

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O

> <PUBCHEM_CACTVS_TPSA>
154

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.086249

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  20  3

$$$$