6-bromanyl-3-(2-methylpropyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(2-methylpropyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-isobutyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-(2-methylpropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-(2-methylpropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-isobutyl-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one 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=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

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