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

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C16H17BrN4O2S MolecularWeight: 409.30078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O2S/c1-3-21-15(23)12-9-11(17)5-6-13(12)19-16(21)24-10-14(22)20(2)8-4-7-18/h5-6,9H,3-4,8,10H2,1-2H3