6-prop-2-enylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-prop-2-enylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-allylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(prop-2-enylthio)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-prop-2-enylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(allylthio)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H11F3N4OS MolecularWeight: 352.33425

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C=CCSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C15H11F3N4OS/c1-2-6-24-14-20-12-11(8-19-21-12)13(23)22(14)10-5-3-4-9(7-10)15(16,17)18/h2-5,7-8H,1,6H2,(H,19,21)