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CHEBI:110191 - 5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide

Default Structure
ChEBI IDCHEBI:110191
ChEBI Name5-[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)C1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(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)
InChIKeyIPSYPUKKXMNCNQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide (CHEBI:110191) is a purine nucleoside (CHEBI:26394)
Manual XrefsDatabases
LSM-21638LINCS