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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(C2=C3C=NNC3=NC=N2)S)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)C(C2=C3C=NNC3=NC=N2)S)C(=O)NCC4=CC=NC=C4

InChI

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