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

Systemtic Name: 5-[[5-bromanyl-4-[[4-(cyanomethoxy)phenyl]amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[5-bromo-4-[4-(cyanomethoxy)anilino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[5-bromo-4-[4-(cyanomethoxy)anilino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[5-bromo-4-[4-(cyanomethoxy)anilino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[5-bromo-4-[4-(cyanomethoxy)anilino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C19H17BrN6O3S MolecularWeight: 489.34568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC#N)Br)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC#N)Br)S(=O)(=O)N

InChI

InChI=1S/C19H17BrN6O3S/c1-12-2-3-14(10-17(12)30(22,27)28)25-19-23-11-16(20)18(26-19)24-13-4-6-15(7-5-13)29-9-8-21/h2-7,10-11H,9H2,1H3,(H2,22,27,28)(H2,23,24,25,26)