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(Q76009710)
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English
8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
8-Bromo-9-pentofuranosyl-9H-purine-2,6-diol
1 reference
based on heuristic
inferred from InChIKey
mass
361.98619617199995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₁₁BrN₄O₆
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canonical SMILES
O=c1[nH]c(=O)c2nc(Br)n(C3OC(CO)C(O)C3O)c2[nH]1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=O)N3)N=C2Br)O)O)O
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Identifiers
InChI
InChI=1S/C10H11BrN4O6/c11-9-12-3-6(13-10(20)14-7(3)19)15(9)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H2,13,14,19,20)/t2-,4-,5-,8-/m1/s1
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InChIKey
YLAPSBFYSPSPLA-UMMCILCDSA-N
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CAS Registry Number
3001-46-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
96545
1 reference
matched by identifier from
InChIKey
InChIKey
YLAPSBFYSPSPLA-UMMCILCDSA-N
UniChem compound ID
23176435
1 reference
stated in
UniChem
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