2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(tert-butylcarbamoyl)ethanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(tert-butylcarbamoyl)acetamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C17H21BrN4O3S/c1-5-22-14(24)11-8-10(18)6-7-12(11)19-16(22)26-9-13(23)20-15(25)21-17(2,3)4/h6-8H,5,9H2,1-4H3,(H2,20,21,23,25)