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(Q82682853)
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English
5'-Deoxy-5'-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2',3'-O-(1-methylethylidene)adenosine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
436.14951773999996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₀N₆O₅
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canonical SMILES
CC1(C)OC2C(CN3C(=O)c4ccccc4C3=O)OC(n3cnc4c(N)ncnc43)C2O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CN5C(=O)C6=CC=CC=C6C5=O)C
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Identifiers
InChI
InChI=1S/C21H20N6O5/c1-21(2)31-14-12(7-26-18(28)10-5-3-4-6-11(10)19(26)29)30-20(15(14)32-21)27-9-25-13-16(22)23-8-24-17(13)27/h3-6,8-9,12,14-15,20H,7H2,1-2H3,(H2,22,23,24)/t12-,14-,15-,20-/m1/s1
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InChIKey
NCKOCYFGFYXGQG-FNSSNTJLSA-N
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CAS Registry Number
80860-44-2
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PubChem CID
67975339
1 reference
matched by identifier from
InChIKey
InChIKey
NCKOCYFGFYXGQG-FNSSNTJLSA-N
UniChem compound ID
29960447
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80737867
1 reference
matched by identifier from
InChIKey
InChIKey
NCKOCYFGFYXGQG-FNSSNTJLSA-N
DSSTOX compound identifier
DTXCID10688611
0 references
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