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English
N-[(4-Azido-3-iodophenyl)methyl]-9-pentofuranosyl-9H-purin-6-amine
group of stereoisomers with the chemical formula C₁₇H₁₇IN₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
524.0417490239998
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₇IN₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
[N-]=[N+]=Nc1ccc(CNc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1I
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[N-]=[N+]=Nc1ccc(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H17IN8O4/c18-9-3-8(1-2-10(9)24-25-19)4-20-15-12-16(22-6-21-15)26(7-23-12)17-14(29)13(28)11(5-27)30-17/h1-3,6-7,11,13-14,17,27-29H,4-5H2,(H,20,21,22)/t11-,13-,14-,17?/m1/s1
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InChIKey
NHGZLLXVUYVMQN-IKYDMHQPSA-N
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CAS Registry Number
98849-99-1
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PubChem CID
127166
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67234772
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40913049
0 references
DSSTOX compound identifier
DTXCID701342062
0 references
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