21140023
  -OEChem-05042418012D

 27 28  0     1  0  0  0  0  0999 V2000
    6.8671    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 27  1  0  0  0  0
  4 19  2  0  0  0  0
  5  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  6 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 26  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
21140023

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
426

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAUCAAADAiBmAAxwILQQACIAiVSUACCAAAgAgAoiAEAZMiIICqI0ZGEIABohSIIyYcQgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[[2-[hydroxy(oxido)amino]phenyl]methylene]hexahydropyrimidine-2,4,6-trione

> <PUBCHEM_IUPAC_CAS_NAME>
5-[[2-[hydroxy(oxido)amino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[[2-[hydroxy(oxido)amino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME>
5-[[2-[hydroxy(oxido)amino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[[2-[oxidanidyl(oxidanyl)amino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[2-[hydroxy(oxido)amino]benzylidene]barbituric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H8N3O5/c15-9-7(10(16)13-11(17)12-9)5-6-3-1-2-4-8(6)14(18)19/h1-5,18H,(H2,12,13,15,16,17)/q-1

> <PUBCHEM_IUPAC_INCHIKEY>
UTJFUNICIPIHGP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
262.04639536

> <PUBCHEM_MOLECULAR_FORMULA>
C11H8N3O5-

> <PUBCHEM_MOLECULAR_WEIGHT>
262.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)N(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)N(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
122

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.04639536

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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  16  8
13  17  8
16  18  8
17  18  8
9  12  8
9  13  8

$$$$