7-Ethyl-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione

CAS Registry Number®

5442-25-1
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CAS Name

7-Ethyl-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione

Molecular Formula

C16H18N4O2

Molecular Mass

298.34

Cite this Page

7-Ethyl-3,7-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=5442-25-1 (retrieved 2024-09-13) (CAS RN: 5442-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18N4O2/c1-4-20-12(10-11-8-6-5-7-9-11)17-14-13(20)15(21)19(3)16(22)18(14)2/h5-9H,4,10H2,1-3H3

InChIKey

InChIKey=XWOZVEHSMHGYOS-UHFFFAOYSA-N

SMILES

C(C)N1C2=C(N=C1CC3=CC=CC=C3)N(C)C(=O)N(C)C2=O

Canonical SMILES

O=C1C2=C(N=C(N2CC)CC=3C=CC=CC3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-
  • Theophylline, 8-benzyl-7-ethyl-
  • 7-Ethyl-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione
  • NSC 14323