Marvin  11051211092D          

 11 12  0  0  0  0            999 V2000
   11.3299   -7.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -8.6117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5594   -9.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -9.9465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2903   -9.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2903   -8.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758   -7.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8613   -8.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8613   -9.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758  -10.1041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <ID>
CHEBI:28921

> <NAME>
7-methyladenine

> <DEFINITION>
Adenine substituted with a methyl group at position N-7.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2273; CHEBI:21899

> <IUPAC_NAME>
7-methyl-7H-purin-6-amine

> <FORMULA>
C6H7N5

> <MASS>
149.15330

> <MONOISOTOPIC_MASS>
149.07015

> <CHARGE>
0

> <SMILES>
Cn1cnc2ncnc(N)c12

> <INCHI>
InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)

> <INCHIKEY>
HCGHYQLFMPXSDU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
935-69-3

> <REAXYS_REGISTRY_NUMBER>
149647

> <CHEMIDPLUS>
935-69-3

> <KEGG_COMPOUND_ACCESSION>
C02241

> <METACYC_ACCESSION>
CPD-13320

> <PUBMED_CITATION>
22770225

$$$$