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(Q82696832)
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English
2-[2-(4-Fluorophenyl)ethoxy]-9-[(3xi)-beta-D-threo-pentofuranosyl]-9H-purin-6-amine
group of stereoisomers with the chemical formula C₁₈H₂₀FN₅O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
405.1448469599999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₀FN₅O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Nc1nc(OCCc2ccc(F)cc2)nc2c1ncn2C1OC(CO)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Nc1nc(OCCc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13?,14+,17-/m1/s1
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InChIKey
WJXSIJUIBOTFHQ-OVHGWZCWSA-N
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CAS Registry Number
131865-85-5
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PubChem CID
71316869
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23546849
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20747809
0 references
DSSTOX compound identifier
DTXCID10698553
0 references
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