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(Q82152000)
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English
N-(2-hydroxyethyl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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
415.10243353199996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₁N₃O₃S₂
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canonical SMILES
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCCO
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Identifiers
InChI
InChI=1S/C20H21N3O3S2/c24-11-10-21-16(25)12-27-20-22-18-17(14-8-4-5-9-15(14)28-18)19(26)23(20)13-6-2-1-3-7-13/h1-3,6-7,24H,4-5,8-12H2,(H,21,25)
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InChIKey
DPQYUIDPBNGWJK-UHFFFAOYSA-N
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CAS Registry Number
6070-70-8
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PubChem CID
2131568
1 reference
matched by identifier from
InChIKey
InChIKey
DPQYUIDPBNGWJK-UHFFFAOYSA-N
UniChem compound ID
4623387
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30366666
1 reference
matched by identifier from
InChIKey
InChIKey
DPQYUIDPBNGWJK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40317705
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