CHEBI:109726 - 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione

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ChEBI Name 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
ChEBI ID CHEBI:109726
Stars This entity has been manually annotated by a third party.
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Formula C20H17FN4O3S2
Net Charge 0
Average Mass 444.505
Monoisotopic Mass 444.07261
InChI InChI=1S/C20H17FN4O3S2/c1-23-17-16(18(27)24(2)20(23)28)25(10-12-5-7-13(21)8-6-12)19(22-17)30-11-14(26)15-4-3-9-29-15/h3-9H,10-11H2,1-2H3
InChIKey LDAMUYGSAJJUBT-UHFFFAOYSA-N
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=CS3)CC4=CC=C(C=C4)F
ChEBI Ontology
Outgoing 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione (CHEBI:109726) is a oxopurine (CHEBI:25810)
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