3-[[5-bromanyl-4-[[4-(cyanomethoxy)phenyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-bromanyl-4-[[4-(cyanomethoxy)phenyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-bromo-4-[4-(cyanomethoxy)anilino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-bromo-4-[4-(cyanomethoxy)anilino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-bromo-4-[4-(cyanomethoxy)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-bromo-4-[4-(cyanomethoxy)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H15BrN6O3S MolecularWeight: 475.3191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC#N)Br

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC#N)Br

InChI

InChI=1S/C18H15BrN6O3S/c19-16-11-22-18(24-13-2-1-3-15(10-13)29(21,26)27)25-17(16)23-12-4-6-14(7-5-12)28-9-8-20/h1-7,10-11H,9H2,(H2,21,26,27)(H2,22,23,24,25)