3,7-Dihydro-1,3,7-trimethyl-8-(phenylmethoxy)-1H-purine-2,6-dione

CAS Registry Number®

5422-51-5

CAS Name

3,7-Dihydro-1,3,7-trimethyl-8-(phenylmethoxy)-1H-purine-2,6-dione

Molecular Formula

C15H16N4O3

Molecular Mass

300.31

Cite this Page

3,7-Dihydro-1,3,7-trimethyl-8-(phenylmethoxy)-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=5422-51-5 (retrieved 2024-11-22) (CAS RN: 5422-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H16N4O3/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)22-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

InChIKey

InChIKey=LSJWXGMOPMJCHP-UHFFFAOYSA-N

SMILES

CN1C2=C(N(C)C(OCC3=CC=CC=C3)=N2)C(=O)N(C)C1=O

Canonical SMILES

O=C1C2=C(N=C(OCC=3C=CC=CC3)N2C)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(phenylmethoxy)-
  • Caffeine, 8-(benzyloxy)-
  • 3,7-Dihydro-1,3,7-trimethyl-8-(phenylmethoxy)-1H-purine-2,6-dione
  • NSC 11301

CAS INSIGHTSTM
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