3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione

CAS Registry Number®

118024-67-2
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CAS Name

3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione

Molecular Formula

C9H12N4O2

Molecular Mass

208.22

Cite this Page

3,9-Dihydro-1-methyl-3-propyl-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=118024-67-2 (retrieved 2024-09-10) (CAS RN: 118024-67-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-222 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)

InChIKey

InChIKey=MCPROACZLSAAPY-UHFFFAOYSA-N

SMILES

C(CC)N1C2=C(C(=O)N(C)C1=O)NC=N2

Canonical SMILES

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

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-3-propyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-propyl-
  • 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
  • 1-Methyl-3-propylxanthine
  • 1-Methyl-3-propyl-7H-purine-2,6-dione

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Deleted or Replaced CAS Registry Numbers

139093-19-9