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(Q82045205)
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English
1-c-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-1-s-ethyl-1-thiohexitol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
336.09912198
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀N₂O₇S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCSC(C(O)C(O)C(O)C(O)CO)n1ccc(O)nc1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H20N2O7S/c1-2-22-11(14-4-3-7(17)13-12(14)21)10(20)9(19)8(18)6(16)5-15/h3-4,6,8-11,15-16,18-20H,2,5H2,1H3,(H,13,17,21)
0 references
InChIKey
QPOXHHYPLHWCPH-UHFFFAOYSA-N
0 references
CAS Registry Number
39550-64-6
0 references
PubChem CID
285680
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68723001
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30301390
0 references
DSSTOX compound identifier
DTXCID20252524
0 references
NSC number
143001
0 references
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