BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

6-ethylmercaptopurine

6-ethylmercaptopurine synonyms

6-Ethylsulfanyl-9H-purine; 6-(Ethylthio)purine; 6-Ethylmercaptopurine

Wikipedia:

Graphical representations:

6-ethylmercaptopurine image

Molecular Formula: C7 H8 N4 S

Natural Isotopic Abundance Mass: 180.23022

Mono-Isotopic Molecular Masses:

  • C12N14: 180.0469669676
  • C13N14: 187.0704508322
  • C12N15: 184.0351065404
  • C13N15: 191.058590405

InCHi String:

canonical and isomeric SMILES: CCSC1=NC=NC2=C1NC=N2

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
6-ethylsulfanyl-7H-purine

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac CAS NAME
6-(ethylthio)-7H-purine

PubChem Substance (SID):   111677863   72794223   85485371
PubChem Compound (CID):   94971
KEGG: Compound ID   C14623
CAS Registry IDs:   5417-84-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich E4126_SIGMA   ChEBI CHEBI:292912   ZINC ZINC00402884   MMCD cq_16293   CAS 5417-84-5

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.