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7-methyluric acid-[13C4,15N3]

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General Information
Catalog: BLP-003138
CAS: 1173023-20-5
Molecular Formula: C2[13C]4H6N[15N]3O3
Molecular Weight: 189.09

Chemical Structure

Description	7-methyluric acid-[13C4,15N3] is a labelled form of 7-methyluric acid which is a metabolite of Theobromine.
Synonyms	7,9-dihydro-7-methyl-1H-Purine-2,6,8(3H)-trione-2,4,5,6-13C4-1,3,9-15N3
IUPAC Name	7-methyl-3,9-dihydropurine-2,6,8-trione
Related CAS	612-37-3 (unlabelled)
Isomeric SMILES	CN1C(=O)[15NH][13C]2=[13C]1[13C](=O)[15NH][13C](=O)[15NH]2
Canonical SMILES	CN1C2=C(NC(=O)NC2=O)NC1=O
InChI	InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)/i2+1,3+1,4+1,5+1,7+1,8+1,9+1
InChI Key	YHNNPKUFPWLTOP-RAHQNYSESA-N
Purity	> 98%