N-(4-bromanylnaphthalen-1-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-bromanylnaphthalen-1-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(4-bromo-1-naphthyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(4-bromo-1-naphthalenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(4-bromonaphthalen-1-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(4-bromo-1-naphthyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C23H16BrN5OS MolecularWeight: 490.37504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Br)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C23H16BrN5OS/c24-19-8-9-20(17-7-2-1-6-16(17)19)28-22(30)15-5-3-4-14(10-15)12-31-23-18-11-27-29-21(18)25-13-26-23/h1-11,13H,12H2,(H,28,30)(H,25,26,27,29)