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

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-benzyl-2-[(4-bromo-2-fluoro-benzyl)thio]-4-keto-quinazoline-7-carboxylic acid Formula: C23H16BrFN2O3S MolecularWeight: 499.352143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C23H16BrFN2O3S/c24-17-8-6-16(19(25)11-17)13-31-23-26-20-10-15(22(29)30)7-9-18(20)21(28)27(23)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,29,30)