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CHEBI:125441 - (2S,4S,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide

Default Structure
ChEBI IDCHEBI:125441
ChEBI Name(2S,4S,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide
Stars
DownloadsMolfile
FormulaC18H18ClIN6O4
Net Charge0
Average Mass544.737
Monoisotopic Mass544.01228
SMILESCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H](O)C1O
InChIInChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11?,12-,13-,17+/m0/s1
InChIKeyIPSYPUKKXMNCNQ-WLRYYPKHSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide (CHEBI:125441) is a purine nucleoside (CHEBI:26394)
Manual XrefsDatabases
LSM-36932LINCS