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Molecule record

7H-purine

C5H4N4

120.11 g/mol

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Molecular properties

Formula
C5H4N4
Molar mass
120.11 g·mol−1
Exact mass
120.0436 Da
6
PubChem CID
1044

Functional groups

Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 120-73-0
  • 149297-77-8
  • 1H-Purine
  • 204-421-2
  • 3H-purine
  • 7H-Imidazo(4,5-d)pyrimidine
  • 7H-Purine (9CI)
  • 9H-Purine
Show all 24 synonyms
  • 9H-Purine (VAN)
  • CHEBI:17258
  • CHEBI:35584
  • CHEBI:35586
  • CHEBI:35589
  • DTXCID1033539
  • DTXSID5074470
  • Imidazo(4,5-d)pyrimidine
  • Isopurine
  • NSC-753
  • NSC753
  • Purine
  • Purine base
  • RefChem:870371
  • W60KTZ3IZY
  • beta-Purine

Structure identifiers

Canonical SMILES
c1ncc2[nH]cnc2n1
Isomeric SMILES
C1=C2C(=NC=N1)N=CN2
InChI
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKey
KDCGOANMDULRCW-UHFFFAOYSA-N
PubChem CID
1044

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 7H-purine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 7H-purine; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
7H-purine - Formula, Structure | ChemArche