8-Cyclopentyltheophylline

CAS Registry Number®

35873-49-5

CAS Name

8-Cyclopentyltheophylline

Molecular Formula

C12H16N4O2

Molecular Mass

248.28

Cite this Page

8-Cyclopentyltheophylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35873-49-5 (retrieved 2024-11-22) (CAS RN: 35873-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)

InChIKey

InChIKey=SCVHFRLUNIOSGI-UHFFFAOYSA-N

SMILES

O=C1C2=C(N=C(N2)C3CCCC3)N(C)C(=O)N1C

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1C)C)C3CCCC3

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-cyclopentyl-3,9-dihydro-1,3-dimethyl-
  • 1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dimethyl-
  • 8-Cyclopentyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 8-Cyclopentyltheophylline
  • 8-Cyclopentyl-1,3-dimethylxanthine

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