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CHEBI:90539 - 1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea

ChEBI IDCHEBI:90539
ChEBI Name1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea
Stars
DefinitionA member of the class of ureas obtained by formal condensation of the carboxy group of [3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acid with the amino group of 4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-amine.
Last Modified8 July 2016
Submittermziehm
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FormulaC27H31N5O2S
Net Charge0
Average Mass489.645
Monoisotopic Mass489.21985
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2nc(CCOCc3ccccc3)cs2)cc1
InChIInChI=1S/C27H31N5O2S/c1-19-10-12-22(13-11-19)32-24(16-23(31-32)27(2,3)4)29-25(33)30-26-28-21(18-35-26)14-15-34-17-20-8-6-5-7-9-20/h5-13,16,18H,14-15,17H2,1-4H3,(H2,28,29,30,33)
InChIKeyMZGQVTBIULKWER-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea (CHEBI:90539) is a N-arylimidazole (CHEBI:46901)
1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea (CHEBI:90539) is a 1,3-thiazoles (CHEBI:38418)
1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea (CHEBI:90539) is a benzyl ether (CHEBI:59859)
1-[5-t-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea (CHEBI:90539) is a ureas (CHEBI:47857)
IUPAC Name 
N-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-N'-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
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Registry NumbersSources
Reaxys:22288593Reaxys