8-(Dimethylamino)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

5426-47-1

CAS Name

8-(Dimethylamino)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C9H13N5O2

Molecular Mass

223.23

Cite this Page

8-(Dimethylamino)-3,9-dihydro-1,3-dimethyl-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=5426-47-1 (retrieved 2024-12-23) (CAS RN: 5426-47-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    337-338 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H13N5O2/c1-12(2)8-10-5-6(11-8)13(3)9(16)14(4)7(5)15/h1-4H3,(H,10,11)

InChIKey

InChIKey=QOFFIYLUCIEBBX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-(dimethylamino)-3,9-dihydro-1,3-dimethyl-
  • Theophylline, 8-(dimethylamino)-
  • 1H-Purine-2,6-dione, 8-(dimethylamino)-3,7-dihydro-1,3-dimethyl-
  • 8-(Dimethylamino)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 8-(Dimethylamino)theophylline

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