N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-pyridin-3-yl-ethanamide

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-pyridin-3-yl-ethanamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-(3-pyridyl)acetamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-(3-pyridinyl)acetamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-pyridin-3-ylacetamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-(3-pyridyl)acetamide Formula: C19H16N6OS MolecularWeight: 376.43494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC2=CN=CC=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC2=CN=CC=C2)CSC3=NC=NC4=C3C=NN4

InChI

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