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(Q82893998)
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English
{[2-(2-Imino-1,2-dihydro-9H-purin-9-yl)ethoxy]methyl}phosphonic acid
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
273.062690494
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₂N₅O₄P
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canonical SMILES
C1=C2C(=NC(=N1)N)N(C=N2)CCOCP(=O)(O)O
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catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C8H12N5O4P/c9-8-10-3-6-7(12-8)13(4-11-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,12)(H2,14,15,16)
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InChIKey
VFSNCDDPONNCST-UHFFFAOYSA-N
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CAS Registry Number
113852-42-9
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PubChem CID
451477
1 reference
matched by identifier from
InChIKey
InChIKey
VFSNCDDPONNCST-UHFFFAOYSA-N
UniChem compound ID
291066
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40921220
1 reference
matched by identifier from
InChIKey
InChIKey
VFSNCDDPONNCST-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601350119
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