EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123965 - 2-[(2R,3R,6R)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide

ChEBI IDCHEBI:123965
ChEBI Name2-[(2R,3R,6R)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC20H21F2N5O4
Net Charge0
Average Mass433.415
Monoisotopic Mass433.15616
SMILESO=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1
InChIInChI=1S/C20H21F2N5O4/c21-12-1-3-15(22)17(7-12)27-20(30)26-16-4-2-14(31-18(16)10-28)8-19(29)24-9-13-5-6-23-11-25-13/h1-7,11,14,16,18,28H,8-10H2,(H,24,29)(H2,26,27,30)/t14-,16+,18-/m0/s1
InChIKeyMOYKFZGAGJCWIL-LESCRADOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,3R,6R)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide (CHEBI:123965) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-35407LINCS