3-Butyl-3,9-dihydro-1-methyl-1H-purine-2,6-dione

CAS Registry Number®

31542-48-0

CAS Name

3-Butyl-3,9-dihydro-1-methyl-1H-purine-2,6-dione

Molecular Formula

C10H14N4O2

Molecular Mass

222.24

Cite this Page

3-Butyl-3,9-dihydro-1-methyl-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=31542-48-0 (retrieved 2025-01-01) (CAS RN: 31542-48-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207-214 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)

InChIKey

InChIKey=KYWKJKVQLGANBH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3-butyl-3,9-dihydro-1-methyl-
  • 1H-Purine-2,6-dione, 3-butyl-3,7-dihydro-1-methyl-
  • Xanthine, 3-butyl-1-methyl-
  • 3-Butyl-3,9-dihydro-1-methyl-1H-purine-2,6-dione
  • SC 2764

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