CHEBI:92575 - 1-tert-butyl-5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone

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ChEBI Name 1-tert-butyl-5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
ChEBI ID CHEBI:92575
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H18ClFN4O
Net Charge 0
Average Mass 348.803
Monoisotopic Mass 348.11532
InChI InChI=1S/C17H18ClFN4O/c1-10-5-6-13(18)12(14(10)19)8-22-9-20-15-11(16(22)24)7-21-23(15)17(2,3)4/h5-7,9H,8H2,1-4H3
InChIKey MBRANMZHQLADBH-UHFFFAOYSA-N
SMILES CC1=C(C(=C(C=C1)Cl)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C)F
ChEBI Ontology
Outgoing 1-tert-butyl-5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone (CHEBI:92575) is a pyrazolopyrimidine (CHEBI:38669)
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