Ketcher 01091716152D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
   12.8069   -7.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6729   -9.2341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0748   -9.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2088   -9.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2088   -8.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0748   -7.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409   -8.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409   -9.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6729   -8.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8069   -9.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8069  -10.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5389   -7.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0748   -6.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3428   -7.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3428   -9.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -9.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6107   -9.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3428  -10.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  2  0     0  0
  1  7  1  0     0  0
  6  7  1  0     0  0
  3  8  1  0     0  0
 10  8  1  0     0  0
  9  1  2  0     0  0
  4  3  2  0     0  0
  5  6  1  0     0  0
  9  2  1  0     0  0
 10  2  1  0     0  0
  5  4  1  0     0  0
  9 12  1  0     0  0
 10 11  2  0     0  0
  6 13  1  0     0  0
  5 14  2  0     0  0
  4 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 15 18  1  0     0  0
M  END
> <ID>
CHEBI:134223

> <NAME>
2-amino-6-(1-hydroxypropyl)-8-methylpteridine-4,7(3H,8H)-dione

> <DEFINITION>
A member of the class of pteridines that is lpteridine-4,7(3H,8H)-dione carrying additional amino, 1-hydroxypropyl and methyl substituents at positions 2, 6 and 8.

> <STAR>
3

> <SYNONYM>
6-(1-hydroxypropyl)-8-methylisoxanthopterin

> <IUPAC_NAME>
2-amino-6-(1-hydroxypropyl)-8-methylpteridine-4,7(1H,8H)-dione

> <FORMULA>
C10H13N5O3

> <MASS>
251.242

> <MONOISOTOPIC_MASS>
251.10184

> <CHARGE>
0

> <SMILES>
N=1C2=C(N=C(C(N2C)=O)C(CC)O)C(NC1N)=O

> <INCHI>
InChI=1S/C10H13N5O3/c1-3-4(16)5-9(18)15(2)7-6(12-5)8(17)14-10(11)13-7/h4,16H,3H2,1-2H3,(H3,11,13,14,17)

> <INCHIKEY>
AZVYLZYXTPBVOS-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
5078506

> <PUBMED_CITATION>
28004739

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