1,9-Dihydro-2-(trifluoromethyl)-6H-purin-6-one

CAS Registry Number®

2268-14-6
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CAS Name

1,9-Dihydro-2-(trifluoromethyl)-6H-purin-6-one

Molecular Formula

C6H3F3N4O

Molecular Mass

204.11

Cite this Page

1,9-Dihydro-2-(trifluoromethyl)-6H-purin-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2268-14-6 (retrieved 2024-08-22) (CAS RN: 2268-14-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    324-326 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)

InChIKey

InChIKey=SLPBZJPJRTYAPU-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(C(F)(F)F)=N1)N=CN2

Canonical SMILES

O=C1N=C(NC=2N=CNC12)C(F)(F)F

Other Names for this Substance

  • 6H-Purin-6-one, 1,9-dihydro-2-(trifluoromethyl)-
  • Hypoxanthine, 2-(trifluoromethyl)-
  • 6H-Purin-6-one, 1,7-dihydro-2-(trifluoromethyl)-
  • 1,9-Dihydro-2-(trifluoromethyl)-6H-purin-6-one
  • 2-(Trifluoromethyl)-3,7-dihydropurin-6-one

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