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(Q83021459)
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English
1-(3-Pyrazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
308.112069612
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₆N₄O₅
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canonical SMILES
Cc1cn(C2OC(CO)C(n3cccn3)C2O)c(=O)[nH]c1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N3C=CC=N3)O
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Identifiers
InChI
InChI=1S/C13H16N4O5/c1-7-5-16(13(21)15-11(7)20)12-10(19)9(8(6-18)22-12)17-4-2-3-14-17/h2-5,8-10,12,18-19H,6H2,1H3,(H,15,20,21)/t8-,9-,10+,12-/m1/s1
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InChIKey
KCAFXBRTKGRNCU-MWGHHZFTSA-N
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CAS Registry Number
124379-59-5
1 reference
InChIKey
KCAFXBRTKGRNCU-MWGHHZFTSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=124379-59-5
PubChem CID
452134
1 reference
matched by identifier from
InChIKey
InChIKey
KCAFXBRTKGRNCU-MWGHHZFTSA-N
UniChem compound ID
59273271
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20154296
1 reference
matched by identifier from
InChIKey
InChIKey
KCAFXBRTKGRNCU-MWGHHZFTSA-N
DSSTOX compound identifier
DTXCID7076787
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