2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21BrN4O2S/c1-3-26-21(29)18-14-16(23)10-11-19(18)25-22(26)30-15(2)20(28)27(13-7-12-24)17-8-5-4-6-9-17/h4-6,8-11,14-15H,3,7,13H2,1-2H3