2-[[6-iodanyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-phenyl-ethanesulfonamide

Systemtic Name: 2-[[6-iodanyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-phenyl-ethanesulfonamide Openeye Name: 2-[[6-iodo-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-phenyl-ethanesulfonamide CAS Name: 2-[[6-iodo-2-(4-methyl-1-piperazinyl)-4-quinazolinyl]amino]-N-phenylethanesulfonamide IUPAC Name: 2-[[6-iodo-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-phenylethanesulfonamide Traditional Name: 2-[[6-iodo-2-(4-methylpiperazino)quinazolin-4-yl]amino]-N-phenyl-ethanesulfonamide Formula: C21H25IN6O2S MolecularWeight: 552.43167

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)I)C(=N2)NCCS(=O)(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)I)C(=N2)NCCS(=O)(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H25IN6O2S/c1-27-10-12-28(13-11-27)21-24-19-8-7-16(22)15-18(19)20(25-21)23-9-14-31(29,30)26-17-5-3-2-4-6-17/h2-8,15,26H,9-14H2,1H3,(H,23,24,25)