2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19BrN4O2S/c1-2-11-26-20(28)17-13-15(22)8-9-18(17)24-21(26)29-14-19(27)25(12-10-23)16-6-4-3-5-7-16/h3-9,13H,2,11-12,14H2,1H3