3,9-Dihydro-8-methyl-1H-purine-2,6-dione

CAS Registry Number®

17338-96-4

CAS Name

3,9-Dihydro-8-methyl-1H-purine-2,6-dione

Molecular Formula

C6H6N4O2

Molecular Mass

166.14

Cite this Page

3,9-Dihydro-8-methyl-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=17338-96-4 (retrieved 2024-11-23) (CAS RN: 17338-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H6N4O2/c1-2-7-3-4(8-2)9-6(12)10-5(3)11/h1H3,(H3,7,8,9,10,11,12)

InChIKey

InChIKey=RTAPDZBZLSXHQQ-UHFFFAOYSA-N

SMILES

O=C1C2=C(N=C(C)N2)NC(=O)N1

Canonical SMILES

O=C1NC(=O)C=2NC(=NC2N1)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-8-methyl-
  • Xanthine, 8-methyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-
  • 3,9-Dihydro-8-methyl-1H-purine-2,6-dione
  • 8-Methylxanthine

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