Ketcher 11261604392D 1   1.00000     0.00000     0

 16 17  0     0  0            999 V2000
   17.9043   -9.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7703   -9.5786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5023   -7.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0382   -9.5786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6363   -9.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3684   -8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1722   -9.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5023   -9.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4401   -8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3062   -9.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3062   -7.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6363   -8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9043   -8.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1722   -8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4401   -9.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3684   -9.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  4  1  1  0     0  0
 13  1  2  0     0  0
  5  2  1  0     0  0
 12  3  1  0     0  0
  6  3  2  0     0  0
  5 12  2  0     0  0
  7  4  1  0     0  0
  8  5  1  0     0  0
 16  6  1  0     0  0
  8 16  2  0     0  0
 14  7  2  0     0  0
 10  7  1  0     0  0
 15  9  1  0     0  0
 11  9  2  0     0  0
 11 14  1  0     0  0
 15 10  2  0     0  0
M  END
> <ID>
CHEBI:41320

> <NAME>
1,3-diphenylurea

> <DEFINITION>
A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera).

> <STAR>
3

> <SYNONYM>
sym-diphenylurea; s-diphenylurea; N-phenyl-N'-phenylurea; N,N'-diphenylurea; diphenylurea; diphenylcarbamide; carbanilide; 1,3-DIPHENYLUREA; 1,3-diphenylcarbamide

> <IUPAC_NAME>
1,3-diphenylurea

> <FORMULA>
C13H12N2O

> <MASS>
212.248

> <MONOISOTOPIC_MASS>
212.09496

> <CHARGE>
0

> <SMILES>
C(NC1=CC=CC=C1)(NC2=CC=CC=C2)=O

> <INCHI>
InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)

> <INCHIKEY>
GWEHVDNNLFDJLR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
782650

> <CAS_REGISTRY_NUMBER>
102-07-8

> <GMELIN_REGISTRY_NUMBER>
143821

> <REAXYS_REGISTRY_NUMBER>
782650

> <CHEMIDPLUS>
102-07-8

> <DRUGBANK_ACCESSION>
DB07496

> <HMDB_ACCESSION>
HMDB0032066

> <NIST_CHEMISTRY_WEBBOOK>
102-07-8

> <PDBECHEM_ACCESSION>
BSU

> <PUBMED_CITATION>
20727675; 7498450

$$$$