6-bromanyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[(2-methoxyphenyl)methyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[(2-methoxyphenyl)methyl]quinazolin-4-one Openeye Name: 6-bromo-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-[(2-methoxyphenyl)methyl]quinazolin-4-one CAS Name: 6-bromo-2-[(3,3-dimethyl-2-oxobutyl)thio]-3-[(2-methoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 6-bromo-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-[(2-methoxyphenyl)methyl]quinazolin-4-one Traditional Name: 6-bromo-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-o-anisyl-quinazolin-4-one Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC3=CC=CC=C3OC

InChI

InChI=1S/C22H23BrN2O3S/c1-22(2,3)19(26)13-29-21-24-17-10-9-15(23)11-16(17)20(27)25(21)12-14-7-5-6-8-18(14)28-4/h5-11H,12-13H2,1-4H3