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(Q83028728)
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English
6-((3-Cyanophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
333.07832695999997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₅N₃O₄S
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canonical SMILES
CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC(=C2)C#N
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Identifiers
InChI
InChI=1S/C15H15N3O4S/c1-10-13(20)17-15(21)18(9-22-6-5-19)14(10)23-12-4-2-3-11(7-12)8-16/h2-4,7,19H,5-6,9H2,1H3,(H,17,20,21)
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InChIKey
WYTLWIIWRNMZTJ-UHFFFAOYSA-N
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CAS Registry Number
137897-80-4
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PubChem CID
453723
1 reference
matched by identifier from
InChIKey
InChIKey
WYTLWIIWRNMZTJ-UHFFFAOYSA-N
UniChem compound ID
236486
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00160375
1 reference
matched by identifier from
InChIKey
InChIKey
WYTLWIIWRNMZTJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID0082866
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