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(Q82245932)
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CHEMBL197983
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
295.114318544
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₇N₃S
0 references
canonical SMILES
CCC1=NC(=C(S1)C2=CC(=NC=C2)N)C3=CC=CC(=C3)C
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Identifiers
InChI
InChI=1S/C17H17N3S/c1-3-15-20-16(12-6-4-5-11(2)9-12)17(21-15)13-7-8-19-14(18)10-13/h4-10H,3H2,1-2H3,(H2,18,19)
0 references
InChIKey
VMHXXKMCQDJJSH-UHFFFAOYSA-N
0 references
CAS Registry Number
303162-39-2
0 references
PubChem CID
9857349
1 reference
matched by identifier from
InChIKey
InChIKey
VMHXXKMCQDJJSH-UHFFFAOYSA-N
UniChem compound ID
125030
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50431906
1 reference
matched by identifier from
InChIKey
InChIKey
VMHXXKMCQDJJSH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40382736
0 references
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