7913
 OpenBabel05082101102D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.4030   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7913

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
87.1

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABgAQAAAAAAAAAAABAALAAAAIAAAAEAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
carbamoylurea

>  <PUBCHEM_IUPAC_CAS_NAME>
carbamoylurea

>  <PUBCHEM_IUPAC_NAME_MARKUP>
carbamoylurea

>  <PUBCHEM_IUPAC_NAME>
carbamoylurea

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-aminocarbonylurea

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbamoylurea

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)

>  <PUBCHEM_IUPAC_INCHIKEY>
OHJMTUPIZMNBFR-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
-0.7

>  <PUBCHEM_EXACT_MASS>
103.038176

>  <PUBCHEM_MOLECULAR_FORMULA>
C2H5N3O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
103.08

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)(N)NC(=O)N

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)(N)NC(=O)N

>  <PUBCHEM_CACTVS_TPSA>
98.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
103.038176

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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

$$$$
