2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylphenyl)ethanamide

Systemtic Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylphenyl)ethanamide Openeye Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylphenyl)acetamide CAS Name: 2-[[1-(4-bromophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-phenylphenyl)acetamide IUPAC Name: 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylphenyl)acetamide Traditional Name: 2-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-(2-phenylphenyl)acetamide Formula: C25H18BrN5OS MolecularWeight: 516.41232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H18BrN5OS/c26-18-10-12-19(13-11-18)31-24-21(14-29-31)25(28-16-27-24)33-15-23(32)30-22-9-5-4-8-20(22)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,30,32)