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(Q82029639)
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English
3-Benzyl-6-(benzylsulfanyl)-3H-purine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
332.109567512
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₁₆N₄S
0 references
canonical SMILES
C1=CC=C(C=C1)CN2C=NC(=C3C2=NC=N3)SCC4=CC=CC=C4
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Identifiers
InChI
InChI=1S/C19H16N4S/c1-3-7-15(8-4-1)11-23-14-22-19(17-18(23)21-13-20-17)24-12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
0 references
InChIKey
RQABGHBGPAWWNI-UHFFFAOYSA-N
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CAS Registry Number
94305-08-5
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PubChem CID
253713
1 reference
matched by identifier from
InChIKey
InChIKey
RQABGHBGPAWWNI-UHFFFAOYSA-N
UniChem compound ID
45545931
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20291635
1 reference
matched by identifier from
InChIKey
InChIKey
RQABGHBGPAWWNI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30242779
0 references
NSC number
76921
0 references
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