Marvin  10170708592D          

 12 13  0  0  0  0            999 V2000
   -0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  8  1  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <ID>
CHEBI:27564

> <NAME>
2-amino-3-methyl-3,7-dihydro-6H-purin-6-one

> <DEFINITION>
A 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20133

> <SYNONYM>
N(3)-methylguanine

> <IUPAC_NAME>
2-amino-3-methyl-3,7-dihydro-6H-purin-6-one

> <FORMULA>
C6H7N5O

> <MASS>
165.15288

> <MONOISOTOPIC_MASS>
165.06506

> <CHARGE>
0

> <SMILES>
Cn1c(N)nc(=O)c2[nH]cnc12

> <INCHI>
InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)

> <INCHIKEY>
XHBSBNYEHDQRCP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
981316

> <CAS_REGISTRY_NUMBER>
2958-98-7

> <REAXYS_REGISTRY_NUMBER>
981316

> <CHEMIDPLUS>
2958-98-7

$$$$