N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(4-ethylphenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(4-ethylphenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-(4-ethylphenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[3-(4-ethylphenyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-(4-ethylphenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[3-(4-ethylphenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C24H21BrFN3O2S2 MolecularWeight: 546.474843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F)SC(=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F)SC(=C3C)C

InChI

InChI=1S/C24H21BrFN3O2S2/c1-4-15-5-8-17(9-6-15)29-23(31)21-13(2)14(3)33-22(21)28-24(29)32-12-20(30)27-19-10-7-16(25)11-18(19)26/h5-11H,4,12H2,1-3H3,(H,27,30)