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

Systemtic Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(4-pyridylmethyl)benzamide CAS Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-(4-pyridylmethyl)benzamide Formula: C19H16N6OS MolecularWeight: 376.43494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C19H16N6OS/c26-18(21-9-13-4-6-20-7-5-13)15-3-1-2-14(8-15)11-27-19-16-10-24-25-17(16)22-12-23-19/h1-8,10,12H,9,11H2,(H,21,26)(H,22,23,24,25)