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(Q82911829)
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9-Pentofuranosyl-N-(prop-2-en-1-yl)-9H-purin-6-amine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
307.128054024
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₇N₅O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C13H17N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h2,5-7,9-10,13,19-21H,1,3-4H2,(H,14,15,16)
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InChIKey
WTYYPLSFICPDGL-UHFFFAOYSA-N
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CAS Registry Number
15763-12-9
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PubChem CID
264006
1 reference
matched by identifier from
InChIKey
InChIKey
WTYYPLSFICPDGL-UHFFFAOYSA-N
MassBank accession ID
MSBNK-Washington_State_Univ-BML01426
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MSBNK-Washington_State_Univ-BML01433
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MSBNK-Washington_State_Univ-BML01440
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MSBNK-Washington_State_Univ-BML01447
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MSBNK-Washington_State_Univ-BML01454
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MSBNK-Washington_State_Univ-BML01461
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MSBNK-Washington_State_Univ-BML81765
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MSBNK-Washington_State_Univ-BML81766
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MSBNK-Washington_State_Univ-BML81767
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MSBNK-Washington_State_Univ-BML81768
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DSSTox substance ID
DTXSID80935745
1 reference
matched by identifier from
InChIKey
InChIKey
WTYYPLSFICPDGL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID501364371
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NSC number
98777
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