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Specification
The molecular formula is C6H8N2O4.
The molecular weight is 172.14 g/mol.
The IUPAC name is (4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid.
The InChI is InChI=1S/C6H8N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,10,11)/t3-/m0/s1.
The InChIKey is GWHDGNNXTNENIF-VKHMYHEASA-N.
The canonical SMILES is CN1C(=O)CC(NC1=O)C(=O)O.
The CAS number is 103365-69-1.
The EC number is 600-426-2.
Yes, 1-Methyl-L-4,5-dihydroorotic acid is canonicalized.