135406872
  CDK     1210211634

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.5219   -1.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9739   -0.7111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9739    0.9961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.9675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    0.9675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343   -0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343    0.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0 
  2  7  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3  8  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4 10  1  0  0  0  0 
  4 14  2  0  0  0  0 
  5 13  1  0  0  0  0 
  5 14  1  0  0  0  0 
  6 14  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:188218

> <NAME>
6,7-Dimethyltetrahydropterin

> <STAR>
2

> <IUPAC_NAME>
2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

> <FORMULA>
C8H13N5O

> <MASS>
195.226

> <MONOISOTOPIC_MASS>
195.11201

> <CHARGE>
0

> <SMILES>
O=C1NC(=NC=2NC(C(NC21)C)C)N

> <INCHI>
InChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)

> <INCHIKEY>
ARHXUJTYUBUXBB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
611-54-1

> <CHEMIDPLUS>
611-54-1

$$$$