CHEBI:119841 - 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(3-thiophenyl)purine-2,6-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(3-thiophenyl)purine-2,6-dione
ChEBI ID CHEBI:119841
Stars This entity has been manually annotated by a third party.
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Formula C20H20N4O3S
Net Charge 0
Average Mass 396.465
Monoisotopic Mass 396.12561
InChI InChI=1S/C20H20N4O3S/c1-27-10-5-9-23-16-18(21-17(23)15-8-11-28-13-15)24(20(26)22-19(16)25)12-14-6-3-2-4-7-14/h2-4,6-8,11,13H,5,9-10,12H2,1H3,(H,22,25,26)
InChIKey QQVGDCDFDWZVKR-UHFFFAOYSA-N
SMILES COCCCN1C2=C(N=C1C3=CSC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4
ChEBI Ontology
Outgoing 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(3-thiophenyl)purine-2,6-dione (CHEBI:119841) is a oxopurine (CHEBI:25810)
Manual Xref Database
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