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

Systemtic Name: N-(4-fluoranyl-2-nitro-phenyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(4-fluoro-2-nitro-phenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(4-fluoro-2-nitrophenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(4-fluoro-2-nitrophenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(4-fluoro-2-nitro-phenyl)-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C19H13FN6O4S MolecularWeight: 440.407723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H13FN6O4S/c20-11-6-7-14(15(8-11)26(29)30)22-16(27)10-31-19-23-17-13(18(28)24-19)9-21-25(17)12-4-2-1-3-5-12/h1-9,21H,10H2,(H,22,27)