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(Q82989918)
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English
5-(1-Methoxyethyl)-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
group of stereoisomers with the chemical formula C₁₄H₂₀N₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
324.14336974
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₀N₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(C)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(C)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H20N4O5/c1-6(22-2)7-3-18(13-9(7)12(15)16-5-17-13)14-11(21)10(20)8(4-19)23-14/h3,5-6,8,10-11,14,19-21H,4H2,1-2H3,(H2,15,16,17)/t6?,8-,10-,11-,14-/m1/s1
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InChIKey
ZTVXTIFPOANESN-TWJZVJIDSA-N
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CAS Registry Number
76319-87-4
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PubChem CID
512720
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53583026
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20997685
0 references
DSSTOX compound identifier
DTXCID101424686
0 references
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