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CHEBI:123591 - 2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide

ChEBI IDCHEBI:123591
ChEBI Name2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC21H25N5O5
Net Charge0
Average Mass427.461
Monoisotopic Mass427.18557
SMILESCOc1cccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)NCc3ccncn3)O[C@@H]2CO)c1
InChIInChI=1S/C21H25N5O5/c1-30-16-4-2-3-14(9-16)25-21(29)26-18-6-5-17(31-19(18)12-27)10-20(28)23-11-15-7-8-22-13-24-15/h2-9,13,17-19,27H,10-12H2,1H3,(H,23,28)(H2,25,26,29)/t17-,18+,19-/m1/s1
InChIKeyIZDDEQQHNYWURQ-CEXWTWQISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide (CHEBI:123591) is a ureas (CHEBI:47857)
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LSM-35033LINCS