CHEBI:108088 - 2-[[3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester

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ChEBI Name 2-[[3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester
ChEBI ID CHEBI:108088
Stars This entity has been manually annotated by a third party.
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Formula C16H16FN5O2S
Net Charge 0
Average Mass 361.396
Monoisotopic Mass 361.10087
InChI InChI=1S/C16H16FN5O2S/c1-3-12(16(23)24-4-2)25-15-13-14(18-9-19-15)22(21-20-13)11-7-5-10(17)6-8-11/h5-9,12H,3-4H2,1-2H3
InChIKey AACUKVXTFOXDGE-UHFFFAOYSA-N
SMILES CCC(C(=O)OCC)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F
ChEBI Ontology
Outgoing 2-[[3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester (CHEBI:108088) is a triazoles (CHEBI:35727)
Manual Xref Database
LSM-19465 LINCS
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