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CHEBI:193577 - 1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-L-iditol

ChEBI IDCHEBI:193577
ChEBI Name1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-L-iditol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27N5O4
Net Charge0
Average Mass461.522
Monoisotopic Mass461.20630
SMILES[H][C@]12OC[C@H](Nc3nccc(-c4ccc(OC)cc4)n3)[C@@]1([H])OC[C@@H]2NC(=O)NCc1ccccc1
InChIInChI=1S/C25H27N5O4/c1-32-18-9-7-17(8-10-18)19-11-12-26-24(28-19)29-20-14-33-23-21(15-34-22(20)23)30-25(31)27-13-16-5-3-2-4-6-16/h2-12,20-23H,13-15H2,1H3,(H,26,28,29)(H2,27,30,31)/t20-,21-,22+,23+/m0/s1
InChIKeyQIHXHWLMJHKVAF-MYDTUXCISA-N
ChEBI Ontology
Outgoing Relation(s)
1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-L-iditol (CHEBI:193577) is a pyrimidines (CHEBI:39447)
IUPAC Name 
1-[(3S,3aR,6S,6aR)-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrouro[3,2-b]uran-6-yl]-3-benzylurea
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