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-dioneMolecular Formula
C8H10N4O2SMolecular Mass
226.26Cite 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 ) (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