CHEBI:121543 - 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione
ChEBI ID CHEBI:121543
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H24N4O4S
Net Charge 0
Average Mass 404.485
Monoisotopic Mass 404.15183
InChI InChI=1S/C19H24N4O4S/c1-11(2)28-19-20-16-15(17(25)21-18(26)22(16)4)23(19)9-13(24)10-27-14-8-6-5-7-12(14)3/h5-8,11,13,24H,9-10H2,1-4H3,(H,21,25,26)
InChIKey NVQSEQBVUMYANE-UHFFFAOYSA-N
SMILES CC1=CC=CC=C1OCC(CN2C3=C(N=C2SC(C)C)N(C(=O)NC3=O)C)O
ChEBI Ontology
Outgoing 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione (CHEBI:121543) is a oxopurine (CHEBI:25810)
Manual Xref Database
LSM-32986 LINCS
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