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(Q82736083)
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English
1-(4,6-Diaminopyrimidin-2-yl)thiolan-1-ium bromide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
276.004429516
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₃BrN₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=c1cc(N)nc([S+]2CCCC2)[nH]1.[Br-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H13N4S.BrH/c9-6-5-7(10)12-8(11-6)13-3-1-2-4-13;/h5H,1-4H2,(H4,9,10,11,12);1H/q+1;/p-1
0 references
InChIKey
NQFIFWQVZNUISW-UHFFFAOYSA-M
0 references
CAS Registry Number
185256-53-5
0 references
PubChem CID
71348940
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NQFIFWQVZNUISW-UHFFFAOYSA-M
UniChem compound ID
47398471
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00774815
1 reference
matched by identifier from
InChIKey
InChIKey
NQFIFWQVZNUISW-UHFFFAOYSA-M
DSSTOX compound identifier
DTXCID90725558
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