6-(Heptylthio)-9H-purine

CAS Registry Number®

83277-80-9
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CAS Name

6-(Heptylthio)-9H-purine

Molecular Formula

C12H18N4S

Molecular Mass

250.36

Cite this Page

6-(Heptylthio)-9H-purine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=83277-80-9 (retrieved 2024-05-03) (CAS RN: 83277-80-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    109-110 °C

  • Density (2)

    1.247 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H18N4S/c1-2-3-4-5-6-7-17-12-10-11(14-8-13-10)15-9-16-12/h8-9H,2-7H2,1H3,(H,13,14,15,16)

InChIKey

InChIKey=AJMDBPAFRPBUDE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 9H-Purine, 6-(heptylthio)-
  • 1H-Purine, 6-(heptylthio)-
  • Purine, 6-(heptylthio)-
  • 6-(Heptylthio)-9H-purine
  • 6-n-Heptylmercaptopurine

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