8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

5426-57-3

CAS Name

8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C8H11N5O2

Molecular Mass

209.21

Cite this Page

8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-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=5426-57-3 (retrieved 2024-12-19) (CAS RN: 5426-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H11N5O2/c1-12-6-5(10-4(3-9)11-6)7(14)13(2)8(12)15/h3,9H2,1-2H3,(H,10,11)

InChIKey

InChIKey=XMLYQLPLUFLBEC-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C(CN)N2

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1C)C)CN

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-(aminomethyl)-3,9-dihydro-1,3-dimethyl-
  • 1H-Purine-2,6-dione, 8-(aminomethyl)-3,7-dihydro-1,3-dimethyl-
  • 8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 8-(Aminomethyl)theophylline
  • 8-(Aminomethyl)-1,3-dimethylxanthine

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