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

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-chlorophenyl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-chlorobenzyl)thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H13ClN4OS MolecularWeight: 368.84002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4OS/c19-13-8-6-12(7-9-13)11-25-18-21-16-15(17(24)22-18)10-20-23(16)14-4-2-1-3-5-14/h1-10,20H,11H2