3,9-Dihydro-1,3-dimethyl-8-(methylthio)-1H-purine-2,6-dione

CAS Registry Number®

1784-71-0
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CAS Name

3,9-Dihydro-1,3-dimethyl-8-(methylthio)-1H-purine-2,6-dione

Molecular Formula

C8H10N4O2S

Molecular Mass

226.26

Cite this Page

3,9-Dihydro-1,3-dimethyl-8-(methylthio)-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1784-71-0 (retrieved 2024-09-06) (CAS RN: 1784-71-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    314 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H10N4O2S/c1-11-5-4(9-7(10-5)15-3)6(13)12(2)8(11)14/h1-3H3,(H,9,10)

InChIKey

InChIKey=RLOPOZUJNIRHCF-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C(SC)N2

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1C)C)SC

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-(methylthio)-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(methylthio)-
  • Theophylline, 8-(methylthio)-
  • 3,9-Dihydro-1,3-dimethyl-8-(methylthio)-1H-purine-2,6-dione
  • 8-Methylthiotheophylline

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