9016-06-2 Purity
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Specification
The PubChem CID of Isbufylline is 65681.
The molecular formula of Isbufylline is C11H16N4O2.
The molecular weight of Isbufylline is 236.27 g/mol.
The IUPAC name of Isbufylline is 1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione.
The InChI of Isbufylline is InChI=1S/C11H16N4O2/c1-7(2)5-15-6-12-9-8(15)10(16)14(4)11(17)13(9)3/h6-7H,5H2,1-4H3.
The InChIKey of Isbufylline is WHUWQSQEVISUMC-UHFFFAOYSA-N.
The canonical SMILES of Isbufylline is CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C.
The CAS number of Isbufylline is 90162-60-0.
The UNII code of Isbufylline is 9C8Z5F38D0.
Yes, Isbufylline is considered a canonicalized compound.
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