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M62812
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
M62812 structure.png
1,177 × 736; 28 KB
0 references
mass
257.062282972
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₁N₃OS
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canonical SMILES
C1=CC=C(C(=C1)N)OC2=CC3=C(C=C2)C(=NS3)N
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Identifiers
InChI
InChI=1S/C13H11N3OS/c14-10-3-1-2-4-11(10)17-8-5-6-9-12(7-8)18-16-13(9)15/h1-7H,14H2,(H2,15,16)
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InChIKey
HQCTTYOADNAJJR-UHFFFAOYSA-N
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CAS Registry Number
613262-61-6
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ChemSpider ID
24691458
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PubChem CID
44224215
1 reference
matched by identifier from
InChIKey
InChIKey
HQCTTYOADNAJJR-UHFFFAOYSA-N
ChEMBL ID
CHEMBL458612
0 references
UniChem compound ID
588775
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701336699
1 reference
matched by identifier from
InChIKey
InChIKey
HQCTTYOADNAJJR-UHFFFAOYSA-N
UNII
D98NBX7QJ5
1 reference
matched by identifier from
InChIKey
InChIKey
HQCTTYOADNAJJR-UHFFFAOYSA-N
Google Knowledge Graph ID
/g/11qqphnm5f
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Sitelinks
Wikipedia
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enwiki
M62812
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