1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid
CAS Registry Number®
52083-48-4
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CAS Name
1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acidMolecular Formula
C11H14N4O4Molecular Mass
266.25Cite this Page
1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52083-48-4 (retrieved ) (CAS RN: 52083-48-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKey
InChIKey=KCQMWMWEALWVLJ-UHFFFAOYSA-N
SMILES
C(CCC(O)=O)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1
Canonical SMILES
O=C(O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C
Other Names for this Substance
- 7H-Purine-7-butanoic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
- 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid
- 7-Theophyllinebutyric acid
- 4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid
