121454
  CDK     0425242201

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.9040    2.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.8880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.6504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4915    0.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4915    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665    0.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  2 12  2  0  0  0  0 
  3 13  2  0  0  0  0 
  4 17  2  0  0  0  0 
  5 12  1  0  0  0  0 
  5 17  1  0  0  0  0 
  6 13  1  0  0  0  0 
  6 17  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 14  1  0  0  0  0 
 10 15  1  0  0  0  0 
 11 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:230953

> <NAME>
3'-Hydroxyamobarbital

> <STAR>
2

> <IUPAC_NAME>
5-ethyl-5-(3-hydroxy-3-methylbutyl)-1,3-diazinane-2,4,6-trione

> <FORMULA>
C11H18N2O4

> <MASS>
242.275

> <MONOISOTOPIC_MASS>
242.12666

> <CHARGE>
0

> <SMILES>
OC(CCC1(CC)C(=O)NC(=O)NC1=O)(C)C

> <INCHI>
InChI=1S/C11H18N2O4/c1-4-11(6-5-10(2,3)17)7(14)12-9(16)13-8(11)15/h17H,4-6H2,1-3H3,(H2,12,13,14,15,16)

> <INCHIKEY>
PUVZPWLDMBLALZ-UHFFFAOYSA-N

$$$$