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English
(3xi)-N-{[5-Cyano-6-(phenylsulfanyl)pyridine-3-carbonyl]carbamoyl}-2-deoxy-beta-D-glycero-pentofuranosylamine
group of stereoisomers with the chemical formula C₁₉H₁₈N₄O₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
414.09979067600005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₈N₄O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N#Cc1cc(C(O)=NC(O)=NC2CC(O)C(CO)O2)cnc1Sc1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N#Cc1cc(C(=O)NC(=O)N[C@H]2CC(O)[C@@H](CO)O2)cnc1Sc1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H18N4O5S/c20-8-11-6-12(9-21-18(11)29-13-4-2-1-3-5-13)17(26)23-19(27)22-16-7-14(25)15(10-24)28-16/h1-6,9,14-16,24-25H,7,10H2,(H2,22,23,26,27)/t14?,15-,16-/m1/s1
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InChIKey
HARYBJOHTSRJJN-ANGDWKNPSA-N
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CAS Registry Number
1207756-48-6
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PubChem CID
53486721
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
47227054
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10705094
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DSSTOX compound identifier
DTXCID50655842
0 references
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