6-bromanyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2-oxidanylpropyl)quinazolin-4-one Openeye Name: 6-bromo-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(2-hydroxypropyl)quinazolin-4-one CAS Name: 6-bromo-2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(2-hydroxypropyl)-4-quinazolinone IUPAC Name: 6-bromo-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-hydroxypropyl)quinazolin-4-one Traditional Name: 6-bromo-3-(2-hydroxypropyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O3S/c1-10(21)8-20-15(23)12-7-11(18)5-6-13(12)19-16(20)24-9-14(22)17(2,3)4/h5-7,10,21H,8-9H2,1-4H3