N-(3-chloranyl-4-fluoranyl-phenyl)-4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(5-ethyl-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide Formula: C22H17ClFN3O2S MolecularWeight: 441.905683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C22H17ClFN3O2S/c1-3-15-11(2)30-22-18(15)21(29)26-19(27-22)12-4-6-13(7-5-12)20(28)25-14-8-9-17(24)16(23)10-14/h4-10H,3H2,1-2H3,(H,25,28)(H,26,27,29)