N-(4-bromanyl-2-fluoranyl-phenyl)-2-(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(2,6-diethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(2,6-diethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(2,6-diethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(2,6-diethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C17H17BrFN5O2S MolecularWeight: 454.316583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)Br)F)CC

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)Br)F)CC

InChI

InChI=1S/C17H17BrFN5O2S/c1-3-23-8-13-15(22-23)16(26)24(4-2)17(21-13)27-9-14(25)20-12-6-5-10(18)7-11(12)19/h5-8H,3-4,9H2,1-2H3,(H,20,25)