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

CAS Registry Number®

2879-15-4

CAS Name

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

Molecular Formula

C14H14N4O2

Molecular Mass

270.29

Cite this Page

3,9-Dihydro-1,3-dimethyl-8-(phenylmethyl)-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=2879-15-4 (retrieved 2024-11-24) (CAS RN: 2879-15-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    286-287 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H14N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)

InChIKey

InChIKey=SWKGFZTXWQMFLK-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C(CC3=CC=CC=C3)N2

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1C)C)CC=3C=CC=CC3

Other Names for this Substance

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

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