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CHEBI:94953 - 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide

ChEBI IDCHEBI:94953
ChEBI Name5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide
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FormulaC18H18ClN5O3S2
Net Charge0
Average Mass451.961
Monoisotopic Mass451.05396
SMILESCc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3nnc(C(C)C)s3)n2)c1
InChIInChI=1S/C18H18ClN5O3S2/c1-10(2)16-23-24-17(28-16)22-15(25)14-13(19)8-20-18(21-14)29(26,27)9-12-6-4-5-11(3)7-12/h4-8,10H,9H2,1-3H3,(H,22,24,25)
InChIKeyUMBCEWOZRUBUBU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide (CHEBI:94953) is a pyrimidinecarboxamide (CHEBI:48438)
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