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

Systemtic Name: 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O2S/c1-15(2)13-27-21(29)18-12-16(23)8-9-19(18)25-22(27)30-14-20(28)26(11-10-24)17-6-4-3-5-7-17/h3-9,12,15H,11,13-14H2,1-2H3