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

Systemtic Name: 6-bromanyl-3-ethyl-2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-ethyl-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-ethyl-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-ethyl-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-ethyl-2-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]quinazolin-4-one Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H17BrN4O2S/c1-3-25-19(27)14-10-12(21)8-9-16(14)23-20(25)28-11(2)17-22-15-7-5-4-6-13(15)18(26)24-17/h4-11H,3H2,1-2H3,(H,22,24,26)