3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione

CAS Registry Number®

5089-89-4

CAS Name

3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione

Molecular Formula

C12H17N5O3

Molecular Mass

279.30

Cite this Page

3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-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=5089-89-4 (retrieved 2024-11-22) (CAS RN: 5089-89-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H17N5O3/c1-14-10-9(11(18)15(2)12(14)19)17(7-13-10)8-16-3-5-20-6-4-16/h7H,3-6,8H2,1-2H3

InChIKey

InChIKey=HGLLQAPXHCAZBP-UHFFFAOYSA-N

SMILES

C(N1C2=C(N(C)C(=O)N(C)C2=O)N=C1)N3CCOCC3

Canonical SMILES

O=C1C2=C(N=CN2CN3CCOCC3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-
  • Theophylline, 7-(morpholinomethyl)-
  • 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione
  • Xanturil
  • 7-Morpholinomethyltheophylline

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