1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride

CAS Registry Number®

40421-16-7

CAS Name

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride

Molecular Formula

C9H9ClN4O3

Molecular Mass

256.65

Cite this Page

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40421-16-7 (retrieved 2024-11-24) (CAS RN: 40421-16-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    152-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9ClN4O3/c1-12-7-6(8(16)13(2)9(12)17)14(4-11-7)3-5(10)15/h4H,3H2,1-2H3

InChIKey

InChIKey=HBTFYZONVQJJNR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(Cl)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Other Names for this Substance

  • 7H-Purine-7-acetyl chloride, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • Purine-7-acetyl chloride, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride
  • Theophylline-7-acetyl chloride
  • 7-Theophyllinylacetyl chloride

View All

Deleted or Replaced CAS Registry Numbers

68146-15-6

CAS INSIGHTSTM
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