01220811372D 1   1.00000     0.00000     0

 10 11  0     0  0            999 V2000
   13.2450   -5.7091    0.0000 N   0  0  0  0  0  0           0  0  0
   13.2438   -6.5341    0.0000 C   0  0  0  0  0  0           0  0  0
   13.9567   -6.9458    0.0000 N   0  0  0  0  0  0           0  0  0
   13.9549   -5.2974    0.0000 C   0  0  0  0  0  0           0  0  0
   14.6682   -5.7054    0.0000 C   0  0  0  0  0  0           0  0  0
   14.6685   -6.5342    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4568   -6.7901    0.0000 N   0  0  0  0  0  0           0  0  0
   15.9437   -6.1194    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4563   -5.4491    0.0000 N   0  0  0  0  0  0           0  0  0
   12.5311   -6.9449    0.0000 N   0  0  0  0  0  0           0  0  0
  5  6  1  0     0  0
  2  3  1  0     0  0
  3  6  2  0     0  0
  1  2  2  0     0  0
  5  4  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9  5  1  0     0  0
  4  1  1  0     0  0
  2 10  1  0     0  0
M  END
> <ID>
CHEBI:479072

> <NAME>
2-aminopurine

> <DEFINITION>
The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position.

> <STAR>
3

> <SYNONYM>
2-amino purine; 2'-amino-purine; 1H-purin-2-amine

> <IUPAC_NAME>
9H-purin-2-amine

> <FORMULA>
C5H5N5

> <MASS>
135.12670

> <MONOISOTOPIC_MASS>
135.05450

> <CHARGE>
0

> <SMILES>
Nc1ncc2nc[nH]c2n1

> <INCHI>
InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)

> <INCHIKEY>
MWBWWFOAEOYUST-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
452-06-2

> <REAXYS_REGISTRY_NUMBER>
5053

> <CHEMIDPLUS>
452-06-2

> <LINCS_ACCESSION>
LSM-5484

> <NIST_CHEMISTRY_WEBBOOK>
452-06-2

> <PUBMED_CITATION>
11120885; 11540922; 17070518; 18463320

$$$$