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

Systemtic Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide Openeye Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(4-pyridylmethyl)phenyl]benzamide CAS Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide IUPAC Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide Traditional Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-[4-(4-pyridylmethyl)phenyl]benzamide Formula: C25H20N6OS MolecularWeight: 452.5309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N6OS/c32-24(30-21-6-4-17(5-7-21)12-18-8-10-26-11-9-18)20-3-1-2-19(13-20)15-33-25-22-14-29-31-23(22)27-16-28-25/h1-11,13-14,16H,12,15H2,(H,30,32)(H,27,28,29,31)