6-bromanyl-3-ethyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-ethyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-ethyl-2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-ethyl-2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-ethyl-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-ethyl-2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C21H17BrN2O4S/c1-3-24-20(27)15-9-13(22)4-6-16(15)23-21(24)29-10-12-8-18(26)28-19-11(2)17(25)7-5-14(12)19/h4-9,25H,3,10H2,1-2H3