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5-Acetylamino-6-amino-3-methyluracil-[13C4,15N3]

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General Information
Catalog: BLP-000870
CAS: 1173022-65-5
Molecular Formula: C3[13C]4H10N[15N]3O3
Molecular Weight: 205.13

Chemical Structure

Description	5-Acetylamino-6-amino-3-methyluracil-[13C4,15N3] is the labelled analogue of AAMU. AAMU is one of Caffeine metabolites. Caffeine is a CNS stimulant, alkaloid, purified from plants of Coffea genus, Rubiaceae.
Synonyms	[13C4,15N3]-5-Acetylamino-6-amino-3-methyluracil; ZX-AFC002907; J-012850; 5-Acetylamino-6-amino-3-methyluracil-[13C4,15N3] (AAMU); 5-Acetylamino-6-amino-3-methyluracil-ring-13C4,15N2, amino-15N; AAMU-13C4,15N3
IUPAC Name	N-(6-(15N)azanyl-3-methyl-2,4-dioxo-(2,4,5,6-13C4,1,3-15N2)1H-pyrimidin-5-yl)acetamide
Related CAS	19893-78-8 (unlabelled)
Canonical SMILES	CC(=O)NC1=C(NC(=O)N(C1=O)C)N
InChI	InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)/i4+1,5+1,6+1,7+1,8+1,10+1,11+1
InChI Key	POQOTWQIYYNXAT-TUCXKDRYSA-N
Purity	≥ 98% (CP); ≥ 98% atom 13C; ≥ 98% atom 15N