EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94958 - 5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxamide

ChEBI IDCHEBI:94958
ChEBI Name5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxamide
Stars
DownloadsMolfile
FormulaC16H13ClFN5O3S3
Net Charge0
Average Mass473.964
Monoisotopic Mass472.98531
SMILESCCSc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)s1
InChIInChI=1S/C16H13ClFN5O3S3/c1-2-27-16-23-22-14(28-16)21-13(24)12-11(17)7-19-15(20-12)29(25,26)8-9-3-5-10(18)6-4-9/h3-7H,2,8H2,1H3,(H,21,22,24)
InChIKeyBVJXTFMKVNPXMZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxamide (CHEBI:94958) is a pyrimidinecarboxamide (CHEBI:48438)
Manual XrefsDatabases
LSM-6177LINCS