null
  CDK     0224162154
null
 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.2902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837    1.8053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032    2.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    1.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    4.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  2  1  0  0  0  0 
  6  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12  8  1  0  0  0  0 
 11 13  1  0  0  0  0 
  9 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
  4 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:31545

> <NAME>
Epirizole

> <STAR>
2

> <SECONDARY_ID>
CHEBI:92689

> <SYNONYM>
methopyrimazole; mepirizole; Mebron (TN); mebron; Epirizole

> <FORMULA>
C11H14N4O2; C11H14N4O2

> <MASS>
234.255

> <MONOISOTOPIC_MASS>
234.11168

> <CHARGE>
0

> <SMILES>
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC

> <INCHI>
InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3

> <INCHIKEY>
RHAXSHUQNIEUEY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
18694-40-1

> <KEGG_DRUG_ACCESSION>
D01394

> <LINCS_ACCESSION>
LSM-2868

$$$$