3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione

CAS Registry Number®

22680-61-1

CAS Name

3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione

Molecular Formula

C16H19N5O2

Molecular Mass

313.35

Cite this Page

3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-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=22680-61-1 (retrieved 2024-11-26) (CAS RN: 22680-61-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H19N5O2/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3

InChIKey

InChIKey=YYJAAIPVBNSAGS-UHFFFAOYSA-N

SMILES

C(CNCC1=CC=CC=C1)N2C3=C(N(C)C(=O)N(C)C3=O)N=C2

Canonical SMILES

O=C1C2=C(N=CN2CCNCC=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-[2-[(phenylmethyl)amino]ethyl]-
  • Theophylline, 7-[2-(benzylamino)ethyl]-
  • 3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione
  • 7-[2-(Benzylamino)ethyl]-1,3-dimethylxanthine
  • 7-(2-Benzylaminoethyl)theophylline

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