7-Deazaxanthine

CAS Registry Number®

39929-79-8
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CAS Name

7-Deazaxanthine

Molecular Formula

C6H5N3O2

Molecular Mass

151.12

Cite this Page

7-Deazaxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=39929-79-8 (retrieved 2024-04-27) (CAS RN: 39929-79-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >330 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)

InChIKey

InChIKey=HASUWNAFLUMMFI-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(=O)N1)NC=C2

Canonical SMILES

O=C1NC(=O)C=2C=CNC2N1

Other Names for this Substance

  • 1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
  • 7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol
  • 7-Deazaxanthine
  • 1,7-Dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
  • 1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione

CAS INSIGHTSTM
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