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(Q82024737)
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English
MLS000737305
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
272.073182004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₂N₄OS
0 references
canonical SMILES
COC1=CN=C(N=C1NC2=CC=C(C=C2)C#N)SC
0 references
Identifiers
InChI
InChI=1S/C13H12N4OS/c1-18-11-8-15-13(19-2)17-12(11)16-10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3,(H,15,16,17)
0 references
InChIKey
RDNUOHJSPWSVTL-UHFFFAOYSA-N
0 references
CAS Registry Number
6623-82-1
1 reference
InChIKey
RDNUOHJSPWSVTL-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=6623-82-1
PubChem CID
244522
1 reference
matched by identifier from
InChIKey
InChIKey
RDNUOHJSPWSVTL-UHFFFAOYSA-N
UniChem compound ID
716047
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80288364
1 reference
matched by identifier from
InChIKey
InChIKey
RDNUOHJSPWSVTL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60239511
0 references
NSC number
55453
0 references
Probes And Drugs ID
PD060617
0 references
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