2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide Formula: C21H18BrFN4O2S MolecularWeight: 489.360623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H18BrFN4O2S/c1-2-26-20(29)15-12-14(22)8-9-17(15)25-21(26)30-13-19(28)27(11-5-10-24)18-7-4-3-6-16(18)23/h3-4,6-9,12H,2,5,11,13H2,1H3