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3-Cyano Gimeracil Methyl Ether-[13C3]

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General Information
Catalog: BLP-002702
CAS: 1391054-70-8
Molecular Formula: C4[13C]3H5ClN2O2
Molecular Weight: 187.56

Chemical Structure

Description	3-Cyano Gimeracil Methyl Ether-[13C3] is the labelled analogue of 3-Cyano Gimeracil Methyl Ether, which is an intermediate in the synthesis of Gimeracil. Gimeracil is a pyridine derivative with antitumor activity.
Synonyms	3-Cyano Gimeracil-13C3 Methyl Ether; 5-Chloro-1,2-dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile-13C3
IUPAC Name	5-chloro-4-methoxy-2-oxo-(4,5,6-13C3)1H-pyridine-3-carbonitrile
Related CAS	147619-40-7 (unlabelled)
Canonical SMILES	COC1=C(C(=O)NC=C1Cl)C#N
InChI	InChI=1S/C7H5ClN2O2/c1-12-6-4(2-9)7(11)10-3-5(6)8/h3H,1H3,(H,10,11)/i3+1,5+1,6+1
InChI Key	NSFMNXCAJNVYKF-GDTGSDDISA-N
Solubility	Soluble in Dimethyl Sulfoxide, Methanol
Appearance	Light Yellow Solid
Storage	2-8 °C