8-Methoxymethyl-3-isobutyl-1-methylxanthine

CAS Registry Number®

78033-08-6

CAS Name

8-Methoxymethyl-3-isobutyl-1-methylxanthine

Molecular Formula

C12H18N4O3

Molecular Mass

266.30

Cite this Page

8-Methoxymethyl-3-isobutyl-1-methylxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78033-08-6 (retrieved 2024-11-24) (CAS RN: 78033-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)

InChIKey

InChIKey=NBLBCGUCPBXKOV-UHFFFAOYSA-N

SMILES

C(C(C)C)N1C2=C(NC(COC)=N2)C(=O)N(C)C1=O

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1C)CC(C)C)COC

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-
  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-
  • 3,9-Dihydro-8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
  • 1-Methyl-3-isobutyl-8-methoxymethylxanthine
  • 8-Methoxymethyl-3-isobutyl-1-methylxanthine

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