4-bromanyl-N-[2-(diethylamino)-4-[(4-fluorophenyl)amino]-6-methyl-pyrimidin-5-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2-(diethylamino)-4-[(4-fluorophenyl)amino]-6-methyl-pyrimidin-5-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[2-(diethylamino)-4-(4-fluoroanilino)-6-methyl-pyrimidin-5-yl]benzenesulfonamide CAS Name: 4-bromo-N-[2-(diethylamino)-4-(4-fluoroanilino)-6-methyl-5-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2-(diethylamino)-4-(4-fluoroanilino)-6-methylpyrimidin-5-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-(diethylamino)-4-(4-fluoroanilino)-6-methyl-pyrimidin-5-yl]benzenesulfonamide Formula: C21H23BrFN5O2S MolecularWeight: 508.407023

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=C(C(=N1)NC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCN(CC)C1=NC(=C(C(=N1)NC2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H23BrFN5O2S/c1-4-28(5-2)21-24-14(3)19(20(26-21)25-17-10-8-16(23)9-11-17)27-31(29,30)18-12-6-15(22)7-13-18/h6-13,27H,4-5H2,1-3H3,(H,24,25,26)