2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
CAS Registry Number®
5614-56-2
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CAS Name
2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acidMolecular Formula
C9H10N4O4Molecular Mass
238.20Cite this Page
2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5614-56-2 (retrieved ) (CAS RN: 5614-56-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
260 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)
InChIKey
InChIKey=YCTSCXLOPJCPDH-UHFFFAOYSA-N
SMILES
O=C1C2=C(N(C)C(=O)N1CC(O)=O)N=CN2C
Canonical SMILES
O=C(O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C
Other Names for this Substance
- 1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-
- Purine-1(2H)-acetic acid, 3,6-dihydro-3,7-dimethyl-2,6-dioxo-
- 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
- 1-Theobromineacetic acid
- 2-(3,7-Dimethyl-2,6-dioxopurin-1-yl)acetic acid
Deleted or Replaced CAS Registry Numbers
116378-56-4
