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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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