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(Q82135994)
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English
4-{[6-Methyl-2-phenyl-5-(prop-2-en-1-yl)pyrimidin-4-yl]amino}benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
345.14772684800005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₁₉N₃O₂
0 references
canonical SMILES
CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)O)CC=C
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Identifiers
InChI
InChI=1S/C21H19N3O2/c1-3-7-18-14(2)22-19(15-8-5-4-6-9-15)24-20(18)23-17-12-10-16(11-13-17)21(25)26/h3-6,8-13H,1,7H2,2H3,(H,25,26)(H,22,23,24)
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InChIKey
SQYRBODOBCAROZ-UHFFFAOYSA-N
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CAS Registry Number
300837-31-4
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PubChem CID
826384
1 reference
matched by identifier from
InChIKey
InChIKey
SQYRBODOBCAROZ-UHFFFAOYSA-N
UniChem compound ID
1092927
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20356576
1 reference
matched by identifier from
InChIKey
InChIKey
SQYRBODOBCAROZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30307635
0 references
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