6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine Openeye Name: 6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine CAS Name: 6-(methylthio)-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(methylthio)-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine Formula: C19H13F3N4OS MolecularWeight: 402.39293

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)OC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)OC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H13F3N4OS/c1-28-18-24-16-15(11-23-26(16)13-7-3-2-4-8-13)17(25-18)27-14-9-5-6-12(10-14)19(20,21)22/h2-11H,1H3