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

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-bromophenyl)methylthio]-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-bromobenzyl)thio]-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12BrClN4OS MolecularWeight: 447.73608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C18H12BrClN4OS/c19-12-3-1-11(2-4-12)10-26-18-22-16-15(17(25)23-18)9-21-24(16)14-7-5-13(20)6-8-14/h1-9,21H,10H2