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(Q90542928)
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English
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy-2-t)methyl]-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₈H₁₀N₅O₃T
0 references
canonical SMILES
N=c1nc(O)c2ncn(COCCO)c2[nH]1
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
0 references
Identifiers
InChI
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
0 references
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
141294-79-3
0 references
PubChem CID
135398513
1 reference
matched by identifier from
InChIKey
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
ChEBI ID
2453
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
SureChEMBL ID
SCHEMBL40723
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
SCHEMBL3175
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
NMRShiftDB structure ID
20025956
1 reference
matched by identifier from
InChIKey
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
DSSTox substance ID
DTXSID1022556
1 reference
matched by identifier from
InChIKey
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
DrugBank ID
DB00787
1 reference
matched by identifier from
InChIKey
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0014925
1 reference
matched by identifier from
InChIKey
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
UNII
X4HES1O11F
1 reference
matched by identifier from
InChIKey
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
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