3,5-dimethoxy-4-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 3,5-dimethoxy-4-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 4-hydroxy-3,5-dimethoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 4-hydroxy-3,5-dimethoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 4-hydroxy-3,5-dimethoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 4-hydroxy-3,5-dimethoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C21H19N5O4S MolecularWeight: 437.47166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C21H19N5O4S/c1-29-16-7-13(8-17(30-2)18(16)27)20(28)25-14-5-3-4-12(6-14)10-31-21-15-9-24-26-19(15)22-11-23-21/h3-9,11,27H,10H2,1-2H3,(H,25,28)(H,22,23,24,26)