Arofylline

CAS Registry Number®

136145-07-8
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CAS Name

Arofylline

Molecular Formula

C14H13ClN4O2

Molecular Mass

304.73

Cite this Page

Arofylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136145-07-8 (retrieved 2024-05-20) (CAS RN: 136145-07-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13ClN4O2/c1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17)

InChIKey

InChIKey=GVTLDPJNRVMCAL-UHFFFAOYSA-N

SMILES

O=C1N(C2=C(C(=O)N1CCC)NC=N2)C3=CC=C(Cl)C=C3

Canonical SMILES

O=C1C=2NC=NC2N(C3=CC=C(Cl)C=C3)C(=O)N1CCC

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3-(4-chlorophenyl)-3,9-dihydro-1-propyl-
  • 1H-Purine-2,6-dione, 3-(4-chlorophenyl)-3,7-dihydro-1-propyl-
  • 3-(4-Chlorophenyl)-3,9-dihydro-1-propyl-1H-purine-2,6-dione
  • Arofylline
  • LAS 31025

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