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

CAS Registry Number®

60942-22-5

CAS Name

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

Molecular Formula

C9H12N4O2

Molecular Mass

208.22

Cite this Page

1-Butyl-3,9-dihydro-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=60942-22-5 (retrieved 2024-11-22) (CAS RN: 60942-22-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    261 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=HZPVRRDNEDXPAJ-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(=O)N1CCCC)N=CN2

Canonical SMILES

O=C1NC=2N=CNC2C(=O)N1CCCC

Other Names for this Substance

  • 1H-Purine-2,6-dione, 1-butyl-3,9-dihydro-
  • 1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-
  • 1-Butyl-3,9-dihydro-1H-purine-2,6-dione
  • 1-Butylxanthine

CAS INSIGHTSTM
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