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(Q82931011)
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English
1,4-Anhydro-1-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)pentitol
group of stereoisomers with the chemical formula C₁₂H₁₆N₄O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
312.106984232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆N₄O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cn1c(=O)c2nc(C3OC(CO)C(O)C3O)[nH]c2n(C)c1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cn1c(=O)c2nc(C3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]c2n(C)c1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H16N4O6/c1-15-10-5(11(20)16(2)12(15)21)13-9(14-10)8-7(19)6(18)4(3-17)22-8/h4,6-8,17-19H,3H2,1-2H3,(H,13,14)/t4-,6-,7-,8?/m1/s1
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InChIKey
FMYDMYVPLRERKJ-ZRTZXPPTSA-N
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CAS Registry Number
3001-44-3
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PubChem CID
151061
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45991218
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70952421
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DSSTOX compound identifier
DTXCID201380510
0 references
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