3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-6-yl-benzamide

Systemtic Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-6-yl-benzamide Openeye Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(6-quinolyl)benzamide CAS Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-(6-quinolinyl)benzamide IUPAC Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide Traditional Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-(6-quinolyl)benzamide Formula: C22H16N6OS MolecularWeight: 412.46704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NC4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NC4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C22H16N6OS/c29-21(27-17-6-7-19-15(10-17)5-2-8-23-19)16-4-1-3-14(9-16)12-30-22-18-11-26-28-20(18)24-13-25-22/h1-11,13H,12H2,(H,27,29)(H,24,25,26,28)