2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[(4-bromo-2-fluoro-benzyl)thio]-4-keto-quinazoline-7-carboxylic acid Formula: C19H14BrFN2O3S MolecularWeight: 449.293463

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H14BrFN2O3S/c1-2-7-23-17(24)14-6-4-11(18(25)26)8-16(14)22-19(23)27-10-12-3-5-13(20)9-15(12)21/h2-6,8-9H,1,7,10H2,(H,25,26)