6-Ethylmercaptopurine

CAS Registry Number®

5417-84-5
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CAS Name

6-Ethylmercaptopurine

Molecular Formula

C7H8N4S

Molecular Mass

180.23

Cite this Page

6-Ethylmercaptopurine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5417-84-5 (retrieved 2024-04-29) (CAS RN: 5417-84-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H8N4S/c1-2-12-7-5-6(9-3-8-5)10-4-11-7/h3-4H,2H2,1H3,(H,8,9,10,11)

InChIKey

InChIKey=XTJLAIOQORFEOI-UHFFFAOYSA-N

SMILES

S(CC)C1=C2C(N=CN2)=NC=N1

Canonical SMILES

N1=CN=C(SCC)C=2NC=NC12

Other Names for this Substance

  • 9H-Purine, 6-(ethylthio)-
  • 1H-Purine, 6-(ethylthio)-
  • Purine, 6-(ethylthio)-
  • 6-(Ethylthio)-9H-purine
  • 6-Ethylmercaptopurine

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