5-(4-bromophenyl)-6-[(2-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-6-[(2-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-[(2-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-[(2-fluorophenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-6-[(2-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-[(2-fluorobenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12BrFN4OS MolecularWeight: 431.281483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br)F

InChI

InChI=1S/C18H12BrFN4OS/c19-12-5-7-13(8-6-12)24-17(25)14-9-21-23-16(14)22-18(24)26-10-11-3-1-2-4-15(11)20/h1-9H,10H2,(H,21,23)