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

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ChEBI Name 5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide
ChEBI ID CHEBI:110191
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H18ClIN6O4
Net Charge 0
Average Mass 544.731
Monoisotopic Mass 544.01228
InChI InChI=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)
InChIKey IPSYPUKKXMNCNQ-UHFFFAOYSA-N
SMILES CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)O)O
ChEBI Ontology
Outgoing 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 Xref Database
LSM-21638 LINCS
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