4-[[5-bromanyl-2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-bromanyl-2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-bromo-2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 4-[[5-bromo-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-bromo-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-bromo-2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H25BrN6O4S MolecularWeight: 537.43

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)Br)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)Br)O

InChI

InChI=1S/C21H25BrN6O4S/c1-28(2)12-16(29)13-32-17-7-3-15(4-8-17)26-21-24-11-19(22)20(27-21)25-14-5-9-18(10-6-14)33(23,30)31/h3-11,16,29H,12-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)