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(Q82003773)
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English
MLS003373964
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrimidine
0 references
mass
229.052112212
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₁N₃O₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=c1ccn(C2CSC(CO)O2)c(O)n1
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
0 references
Identifiers
InChI
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)
0 references
InChIKey
JTEGQNOMFQHVDC-UHFFFAOYSA-N
0 references
CAS Registry Number
141434-39-1
0 references
PubChem CID
3877
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-UHFFFAOYSA-N
UniChem compound ID
26720824
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10274412
1 reference
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40225891
0 references
Human Metabolome Database ID
HMDB0251826
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-UHFFFAOYSA-N
Probes And Drugs ID
PD000853
0 references
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