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

Systemtic Name: 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-chloro-4-fluorophenyl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-chloro-4-fluoro-benzyl)thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12ClFN4OS MolecularWeight: 386.830483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClFN4OS/c19-15-8-12(20)7-6-11(15)10-26-18-22-16-14(17(25)23-18)9-21-24(16)13-4-2-1-3-5-13/h1-9,21H,10H2