4-(6-iodanyl-4-oxidanylidene-2-thiophen-2-yl-quinazolin-3-yl)-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-(6-iodanyl-4-oxidanylidene-2-thiophen-2-yl-quinazolin-3-yl)-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[6-iodo-4-oxo-2-(2-thienyl)quinazolin-3-yl]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-(6-iodo-4-oxo-2-thiophen-2-yl-3-quinazolinyl)-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(6-iodo-4-oxo-2-thiophen-2-ylquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[6-iodo-4-keto-2-(2-thienyl)quinazolin-3-yl]-N-(2-pyrimidyl)benzenesulfonamide Formula: C22H14IN5O3S2 MolecularWeight: 587.41273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=C(C=C4)I)C5=CC=CS5

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=C(C=C4)I)C5=CC=CS5

InChI

InChI=1S/C22H14IN5O3S2/c23-14-4-9-18-17(13-14)21(29)28(20(26-18)19-3-1-12-32-19)15-5-7-16(8-6-15)33(30,31)27-22-24-10-2-11-25-22/h1-13H,(H,24,25,27)