10442362
  CDK     0602212311

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.5220   -1.4933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3236    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171    0.8206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171   -0.5071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4986    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0 
  2 10  2  0  0  0  0 
  3  8  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4  9  1  0  0  0  0 
  4 10  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6 11  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 12  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:173875

> <NAME>
8-Hydroxythioguanine

> <STAR>
2

> <IUPAC_NAME>
2-amino-6-sulanylidene-7,9-dihydro-3H-purin-8-one

> <FORMULA>
C5H5N5OS

> <MASS>
183.190

> <MONOISOTOPIC_MASS>
183.02148

> <CHARGE>
0

> <SMILES>
S=C1N=C(NC=2NC(=O)NC21)N

> <INCHI>
InChI=1S/C5H5N5OS/c6-4-8-2-1(3(12)10-4)7-5(11)9-2/h(H5,6,7,8,9,10,11,12)

> <INCHIKEY>
TWLCFFLQLXBKAP-UHFFFAOYSA-N

$$$$