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(Q82903651)
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English
9-{2-[(Butan-2-yl)amino]-2-deoxypentofuranosyl}-9H-purin-6-amine
group of stereoisomers with the chemical formula C₁₄H₂₂N₆O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
322.175338564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂N₆O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)NC1C(O)C(CO)OC1n1cnc2c(N)ncnc21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(C)N[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H22N6O3/c1-3-7(2)19-9-11(22)8(4-21)23-14(9)20-6-18-10-12(15)16-5-17-13(10)20/h5-9,11,14,19,21-22H,3-4H2,1-2H3,(H2,15,16,17)/t7?,8-,9-,11+,14-/m1/s1
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InChIKey
FLWDFNRCXTYRGD-FANCQLLMSA-N
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CAS Registry Number
134934-96-6
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PubChem CID
452783
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50159429
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70928828
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DSSTOX compound identifier
DTXCID301357592
0 references
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