4-[(6-iodanyl-2-thiophen-2-yl-quinazolin-4-yl)amino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(6-iodanyl-2-thiophen-2-yl-quinazolin-4-yl)amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[[6-iodo-2-(2-thienyl)quinazolin-4-yl]amino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[(6-iodo-2-thiophen-2-yl-4-quinazolinyl)amino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(6-iodo-2-thiophen-2-ylquinazolin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[[6-iodo-2-(2-thienyl)quinazolin-4-yl]amino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C22H15IN6O2S2 MolecularWeight: 586.42797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3C=C(C=C4)I)C5=CC=CS5

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3C=C(C=C4)I)C5=CC=CS5

InChI

InChI=1S/C22H15IN6O2S2/c23-14-4-9-18-17(13-14)20(28-21(27-18)19-3-1-12-32-19)26-15-5-7-16(8-6-15)33(30,31)29-22-24-10-2-11-25-22/h1-13H,(H,24,25,29)(H,26,27,28)