CHEBI:109048 - LSM-20446

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ChEBI Name LSM-20446
ChEBI ID CHEBI:109048
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H17ClN2O3S
Net Charge 0
Average Mass 352.837
Monoisotopic Mass 352.06484
InChI InChI=1S/C16H17ClN2O3S/c1-4-22-15(21)13-9(2)18-16(23)19(10(3)20)14(13)11-5-7-12(17)8-6-11/h5-8,13-14H,4H2,1-3H3
InChIKey XONILWCJQBNRTI-UHFFFAOYSA-N
SMILES CCOC(=O)C1C(N(C(=S)N=C1C)C(=O)C)C2=CC=C(C=C2)Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing LSM-20446 (CHEBI:109048) is a pyrimidinecarboxylic acid (CHEBI:78574)
Manual Xref Database
LSM-20446 LINCS
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