4-[[5-bromanyl-6-methyl-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-bromanyl-6-methyl-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-bromo-6-methyl-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 4-[[5-bromo-6-methyl-2-(4-sulfamoylanilino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-bromo-6-methyl-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-bromo-6-methyl-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C17H17BrN6O4S2 MolecularWeight: 513.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)NC3=CC=C(C=C3)S(=O)(=O)N)Br

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)NC3=CC=C(C=C3)S(=O)(=O)N)Br

InChI

InChI=1S/C17H17BrN6O4S2/c1-10-15(18)16(22-11-2-6-13(7-3-11)29(19,25)26)24-17(21-10)23-12-4-8-14(9-5-12)30(20,27)28/h2-9H,1H3,(H2,19,25,26)(H2,20,27,28)(H2,21,22,23,24)