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

Systemtic Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3-bromophenyl)methylthio]-5-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-bromobenzyl)thio]-5-(4-chlorophenyl)-1H-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(=C1)Br)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

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