3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione

CAS Registry Number®

1807-85-8

CAS Name

3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione

Molecular Formula

C14H14N4O2

Molecular Mass

270.29

Cite this Page

3,7-Dihydro-1,3-dimethyl-7-(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=1807-85-8 (retrieved 2024-11-25) (CAS RN: 1807-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=WXWQVDBZDNPNLZ-UHFFFAOYSA-N

SMILES

C(N1C2=C(N(C)C(=O)N(C)C2=O)N=C1)C3=CC=CC=C3

Canonical SMILES

O=C1C2=C(N=CN2CC=3C=CC=CC3)N(C(=O)N1C)C

Other Names for this Substance

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

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