Marvin  11200612422D          

 12 13  0  0  0  0            999 V2000
    0.7145    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  1  7  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  2  0  0  0  0
 10  8  1  0  0  0  0
  9  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
  5  4  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:18265

> <NAME>
2-aminopteridin-4-ol

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11513

> <SYNONYM>
2-amino-4-hydroxypteridine

> <IUPAC_NAME>
2-aminopteridin-4-ol

> <FORMULA>
C6H5N5O

> <MASS>
163.13700

> <MONOISOTOPIC_MASS>
163.04941

> <CHARGE>
0

> <SMILES>
Nc1nc(O)c2nccnc2n1

> <INCHI>
InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)

> <INCHIKEY>
HNXQXTQTPAJEJL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
910525

> <CAS_REGISTRY_NUMBER>
2236-60-4

> <CHEMIDPLUS>
2236-60-4

> <METACYC_ACCESSION>
2-AMINO-4-HYDROXYPTERIDINE

$$$$