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(Q72484111)
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English
3-Iodo-4-(2-(methylthio)pyrimidin-4-yl)-1H-pyrazole
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
318.1388
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₇IN₄S
0 references
canonical SMILES
CSC1=NC=CC(=N1)C2=C(NN=C2)I
0 references
Identifiers
InChI
InChI=1S/C8H7IN4S/c1-14-8-10-3-2-6(12-8)5-4-11-13-7(5)9/h2-4H,1H3,(H,11,13)
0 references
InChIKey
XBRURAHDFBJPMJ-UHFFFAOYSA-N
0 references
CAS Registry Number
1111638-74-4
1 reference
InChIKey
XBRURAHDFBJPMJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1111638-74-4
PubChem CID
46864160
1 reference
matched by identifier from
InChIKey
InChIKey
XBRURAHDFBJPMJ-UHFFFAOYSA-N
UniChem compound ID
15730714
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70676978
1 reference
matched by identifier from
InChIKey
InChIKey
XBRURAHDFBJPMJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10627727
0 references
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