Ketcher 12121611142D 1   1.00000     0.00000     0

 12 13  0     0  0            999 V2000
   21.3708   -3.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3708   -6.5521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1864   -4.7441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1864   -6.3563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5033   -5.0493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6355   -6.5521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2385   -5.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2385   -6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5033   -6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3708   -4.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7711   -5.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7679   -6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0     0  0
  2  8  1  0     0  0
  2  9  1  0     0  0
  3  7  1  0     0  0
  3 11  2  0     0  0
  4  8  1  0     0  0
  4 11  1  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
  6  9  1  0     0  0
  6 12  1  0     0  0
  7  8  2  0     0  0
  7 10  1  0     0  0
M  END
> <ID>
CHEBI:21818

> <NAME>
N(2)-methylguanine

> <DEFINITION>
A methylguanine in which the methyl group is located at the N2-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:89472

> <SYNONYM>
N-Methyl-Guanine; 2-Methylguanine; 2-Methylamino-6-oxopurine; 1,7-Dihydro-2-(methylamino)-6H-Purin-6-one

> <IUPAC_NAME>
2-(methylamino)-1,7-dihydro-6H-purin-6-one

> <FORMULA>
C6H7N5O

> <MASS>
165.153

> <MONOISOTOPIC_MASS>
165.06506

> <CHARGE>
0

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

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

> <INCHIKEY>
SGSSKEDGVONRGC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
10030-78-1

> <REAXYS_REGISTRY_NUMBER>
1212208

> <CHEMIDPLUS>
10030-78-1

> <PUBMED_CITATION>
17189261; 19749381; 23773213; 24733044; 4853458; 5085644; 7528943

$$$$