7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

1021-65-4
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CAS Name

7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C11H16N4O2

Molecular Mass

236.27

Cite this Page

7-Butyl-3,7-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=1021-65-4 (retrieved 2024-07-28) (CAS RN: 1021-65-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102-103 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H16N4O2/c1-4-5-6-15-7-12-9-8(15)10(16)14(3)11(17)13(9)2/h7H,4-6H2,1-3H3

InChIKey

InChIKey=CPRWWXKLQNLTSZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1C2=C(N=CN2CCCC)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-butyl-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 7-butyl-
  • 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 7-Butyltheophylline
  • 7-Butyl-1,3-dimethylxanthine