benzylthiouracil
  CDK     0223171732
null
 15 16  0  0  0  0  0  0  0  0999 V2000
    0.3582   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -1.9735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016   -3.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -1.9735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -0.7370    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  2  0  0  0  0 
  3  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  2  0  0  0  0 
  8 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
  9 13  1  0  0  0  0 
  9 14  2  0  0  0  0 
 10 15  2  0  0  0  0 
 11 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:134902

> <NAME>
benzylthiouracil

> <STAR>
2

> <SYNONYM>
bentiuracil; basdene; 6-Benzyl-2-thiouracil

> <FORMULA>
C11H10N2OS

> <MASS>
218.276

> <MONOISOTOPIC_MASS>
218.05138

> <CHARGE>
0

> <SMILES>
C(C1=CC(=O)NC(N1)=S)C2=CC=CC=C2

> <INCHI>
InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)

> <INCHIKEY>
PNXBXCRWXNESOV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6336-50-1

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