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(Q82743280)
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English
N-(2,6-Dimethylphenyl)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
371.1593541519999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₁N₅O₄
0 references
canonical SMILES
Cc1cccc(C)c1Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C(C(=CC=C1)C)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
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Identifiers
InChI
InChI=1S/C18H21N5O4/c1-9-4-3-5-10(2)12(9)22-16-13-17(20-7-19-16)23(8-21-13)18-15(26)14(25)11(6-24)27-18/h3-5,7-8,11,14-15,18,24-26H,6H2,1-2H3,(H,19,20,22)/t11-,14-,15-,18-/m1/s1
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InChIKey
HPETYYDBPYNMLU-XKLVTHTNSA-N
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CAS Registry Number
29204-51-1
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PubChem CID
71356080
1 reference
matched by identifier from
InChIKey
InChIKey
HPETYYDBPYNMLU-XKLVTHTNSA-N
UniChem compound ID
60978100
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00780234
1 reference
matched by identifier from
InChIKey
InChIKey
HPETYYDBPYNMLU-XKLVTHTNSA-N
DSSTOX compound identifier
DTXCID60730977
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