2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)acetamide Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C19H21BrN4O2S/c1-2-24-17(26)14-10-13(20)6-7-15(14)22-18(24)27-11-16(25)23-19(12-21)8-4-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3,(H,23,25)