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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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2-Amino-6-chloropurine; 2-Amino-6-chlorpurine; 6-Chloro-2-aminopurine; 6-Chloroguanine; Purine, 2-amino-6-chloro-; 1H-Purin-2-amine, 6-chloro-
Molecular Formula: C5 H4 N5 Cl
Natural Isotopic Abundance Mass: 169.57176
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
canonical and isomeric SMILES: C1=NC2=C(N1)C(=NC(=N2)N)Cl
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
6-chloro-7H-purin-2-amine
PUBCHEM iupac TRADITIONAL NAME
(6-chloro-7H-purin-2-yl)amine
PUBCHEM iupac SYSTEMATIC NAME
6-chloranyl-7H-purin-2-amine
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773