CHEBI:117240 - 2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide

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ChEBI Name 2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide
ChEBI ID CHEBI:117240
Stars This entity has been manually annotated by a third party.
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Formula C18H18FN5O2S
Net Charge 0
Average Mass 387.433
Monoisotopic Mass 387.11652
InChI InChI=1S/C18H18FN5O2S/c19-12-3-5-13(6-4-12)24-17-15(9-23-24)18(22-11-21-17)27-10-16(25)20-8-14-2-1-7-26-14/h3-6,9,11,14H,1-2,7-8,10H2,(H,20,25)
InChIKey ABDLIIONBBQBGV-UHFFFAOYSA-N
SMILES C1CC(OC1)CNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F
ChEBI Ontology
Outgoing 2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide (CHEBI:117240) is a pyrazoles (CHEBI:26410)
2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide (CHEBI:117240) is a ring assembly (CHEBI:36820)
Manual Xref Database
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