N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(3-methyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(3-methyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4-keto-3-methyl-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C21H16BrFN4O2S MolecularWeight: 487.344743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H16BrFN4O2S/c1-27-20(29)19-18(14(10-24-19)12-5-3-2-4-6-12)26-21(27)30-11-17(28)25-16-8-7-13(22)9-15(16)23/h2-10,24H,11H2,1H3,(H,25,28)