6-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-chloro-6-fluorophenyl)methylthio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-chloro-6-fluoro-benzyl)thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12ClFN4OS MolecularWeight: 386.830483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=C(C=CC=C4Cl)F

InChI

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