2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19BrN4O2S/c1-13(2)11-26-20(28)17-9-15(22)5-8-18(17)25-21(26)29-12-19(27)24-16-6-3-14(10-23)4-7-16/h3-9,13H,11-12H2,1-2H3,(H,24,27)