phenyl (6E)-6-[(3-bromanyl-5-oxidanyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate

Systemtic Name: phenyl (6E)-6-[(3-bromanyl-5-oxidanyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-bromo-5-hydroxy-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[(3-bromo-5-hydroxyphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester IUPAC Name: phenyl (6E)-6-[(3-bromo-5-hydroxyphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-bromo-5-hydroxy-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C25H19BrN2O5S MolecularWeight: 539.39776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=CC(=C2)Br)O)C3=NC4=C(C=CC=C4S(=O)(=O)OC5=CC=CC=C5)C(=O)N3C1

Isomeric SMILES

C1C/C(=C\C2=CC(=CC(=C2)Br)O)/C3=NC4=C(C=CC=C4S(=O)(=O)OC5=CC=CC=C5)C(=O)N3C1

InChI

InChI=1S/C25H19BrN2O5S/c26-18-13-16(14-19(29)15-18)12-17-6-5-11-28-24(17)27-23-21(25(28)30)9-4-10-22(23)34(31,32)33-20-7-2-1-3-8-20/h1-4,7-10,12-15,29H,5-6,11H2/b17-12+