N-isoquinolin-5-yl-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-isoquinolin-5-yl-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(5-isoquinolyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(5-isoquinolinyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-isoquinolin-5-yl-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(5-isoquinolyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C22H16N6OS MolecularWeight: 412.46704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C22H16N6OS/c29-21(27-19-6-2-5-16-10-23-8-7-17(16)19)15-4-1-3-14(9-15)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)