162834
  -OEChem-04202410442D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000   -3.3318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.6627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.2614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132    3.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3552    3.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2404    3.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3647    3.7467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4106    2.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
162834

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
385

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAEAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHgIQAAAACArBkCQzwIPAAACoACVSdACCAAEhBwAJiACIZoiIYCLBm7GUIAholQJIyCcQAAAAAAAAAAIAAAAAAAAABAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4<I>H</I>-imidazol-2-yl)urea

> <PUBCHEM_IUPAC_NAME>
1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4H-imidazol-2-yl)urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(3-chlorophenyl)-3-(4-keto-1-methyl-2-imidazolin-2-yl)urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
DWPQODZAOSWNHB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
266.0570533

> <PUBCHEM_MOLECULAR_FORMULA>
C11H11ClN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CC(=O)N=C1NC(=O)NC2=CC(=CC=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CC(=O)N=C1NC(=O)NC2=CC(=CC=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
73.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.0570533

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
13  14  8
13  15  8
14  16  8
15  17  8
16  18  8
17  18  8

$$$$