6-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17BrN4O3S MolecularWeight: 473.34298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C20H17BrN4O3S/c1-27-16-8-12(15(21)9-17(16)28-2)11-29-20-23-18-14(19(26)24-20)10-22-25(18)13-6-4-3-5-7-13/h3-10,22H,11H2,1-2H3