Marvin  03110814262D          

 24 26  0  0  0  0            999 V2000
    8.6764  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6764  -11.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3908  -12.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1053  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1053  -11.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5342  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5342  -11.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2487  -12.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9631  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3921  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3921  -11.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1065  -10.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1065  -12.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8210  -11.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8198  -10.5842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2487  -10.5842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9631  -11.8217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6776  -10.5842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3908  -10.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1053   -9.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3908   -9.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6763   -9.3467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8210  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5355  -10.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  2  0  0  0  0
 19  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
 15  4  1  0  0  0  0
  5  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
 16  9  1  0  0  0  0
  8 17  1  0  0  0  0
 18  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 12 10  2  0  0  0  0
 11 10  1  0  0  0  0
 11 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  2  0  0  0  0
 19 21  1  0  0  0  0
 21 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <ID>
CHEBI:40332

> <NAME>
2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide

> <STAR>
3

> <SYNONYM>
4-(2-carbamoylanilino)-2-(3-hydroxyanilino)pyrimidine; 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE

> <IUPAC_NAME>
2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide

> <FORMULA>
C17H15N5O2

> <MASS>
321.33350

> <MONOISOTOPIC_MASS>
321.12257

> <CHARGE>
0

> <SMILES>
NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1

> <INCHI>
InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)

> <INCHIKEY>
QHPKKGUGRGRSGA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
10700980

> <DRUGBANK_ACCESSION>
DB07268

> <PDBECHEM_ACCESSION>
859

$$$$