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

Systemtic Name: 1-phenyl-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-phenyl-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-phenyl-6-[[4-(trifluoromethyl)phenyl]methylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-phenyl-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-phenyl-6-[[4-(trifluoromethyl)benzyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H13F3N4OS MolecularWeight: 402.39293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H13F3N4OS/c20-19(21,22)13-8-6-12(7-9-13)11-28-18-24-16-15(17(27)25-18)10-23-26(16)14-4-2-1-3-5-14/h1-10,23H,11H2