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

Systemtic Name: 6-bromanyl-3-(2-methylpropyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 6-bromo-3-isobutyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-(2-methylpropyl)-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 6-bromo-3-(2-methylpropyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 6-bromo-3-isobutyl-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)C3=CC=CN3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)C3=CC=CN3

InChI

InChI=1S/C18H18BrN3O2S/c1-11(2)9-22-17(24)13-8-12(19)5-6-14(13)21-18(22)25-10-16(23)15-4-3-7-20-15/h3-8,11,20H,9-10H2,1-2H3