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

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN5O2S/c1-2-24-17(26)14-11-13(19)5-6-15(14)22-18(24)27-12-16(25)23(9-3-7-20)10-4-8-21/h5-6,11H,2-4,9-10,12H2,1H3