2-[6-bromanyl-4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[[6-bromo-4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCCC#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCCC#N

InChI

InChI=1S/C21H19BrN4O2S/c1-14(15-6-3-2-4-7-15)26-20(28)17-12-16(22)8-9-18(17)25-21(26)29-13-19(27)24-11-5-10-23/h2-4,6-9,12,14H,5,11,13H2,1H3,(H,24,27)/t14-/m1/s1