N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C19H13BrFN5O2S MolecularWeight: 474.306223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C19H13BrFN5O2S/c20-11-6-7-15(14(21)8-11)23-16(27)10-29-19-24-17-13(9-22-25-17)18(28)26(19)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,25)(H,23,27)