(Q82911697)

English

8-Bromo-2-imino-9-(2,3,5-tri-O-acetylpentofuranosyl)-3,9-dihydro-2H-purin-6-ol

chemical compound

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Statements

type of chemical entity

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chemical compound

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487.03387463599995 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₈BrN₅O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OCC1OC(n2c(Br)nc3c(O)nc(=N)[nH]c32)C(OC(C)=O)C1OC(C)=O

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based on heuristic

inferred from InChI

CAS COVID-19 Anti-Viral Candidate Compounds

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Identifiers

InChI=1S/C16H18BrN5O8/c1-5(23)27-4-8-10(28-6(2)24)11(29-7(3)25)14(30-8)22-12-9(19-15(22)17)13(26)21-16(18)20-12/h8,10-11,14H,4H2,1-3H3,(H3,18,20,21,26)

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JLZCAXCVNVVXJL-UHFFFAOYSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID801364249

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