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

Systemtic Name: 3-bromanyl-4-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 3-bromo-4-hydroxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 3-bromo-4-hydroxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 3-bromo-4-hydroxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 3-bromo-4-hydroxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C19H14BrN5O2S MolecularWeight: 456.31576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)O)Br)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)O)Br)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H14BrN5O2S/c20-15-7-12(4-5-16(15)26)18(27)24-13-3-1-2-11(6-13)9-28-19-14-8-23-25-17(14)21-10-22-19/h1-8,10,26H,9H2,(H,24,27)(H,21,22,23,25)