5-Butyl-2,4,6(1H,3H,5H)-pyrimidinetrione

CAS Registry Number®

1953-33-9
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CAS Name

5-Butyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Molecular Formula

C8H12N2O3

Molecular Mass

184.19

Cite this Page

5-Butyl-2,4,6(1H,3H,5H)-pyrimidinetrione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1953-33-9 (retrieved 2024-09-07) (CAS RN: 1953-33-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H12N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h5H,2-4H2,1H3,(H2,9,10,11,12,13)

InChIKey

InChIKey=HTKIZIQFMHVTRJ-UHFFFAOYSA-N

SMILES

C(CCC)C1C(=O)NC(=O)NC1=O

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)CCCC

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-
  • Barbituric acid, 5-butyl-
  • 5-Butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Butylbarbituric acid
  • NSC 120724

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Deleted or Replaced CAS Registry Numbers

324056-09-9, 901378-05-0