N-(4-bromanyl-2-fluoranyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C15H13BrFN5OS MolecularWeight: 410.264023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C15H13BrFN5OS/c1-8(14(23)21-12-4-3-9(16)5-11(12)17)24-15-10-6-20-22(2)13(10)18-7-19-15/h3-8H,1-2H3,(H,21,23)