4-[2-[[5-bromanyl-2-(quinolin-6-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[5-bromanyl-2-(quinolin-6-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[5-bromo-2-(6-quinolylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[5-bromo-2-(6-quinolinylamino)-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[5-bromo-2-(quinolin-6-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[5-bromo-2-(6-quinolylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C21H19BrN6O2S MolecularWeight: 499.38356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N)Br)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N)Br)N=C1

InChI

InChI=1S/C21H19BrN6O2S/c22-18-13-26-21(27-16-5-8-19-15(12-16)2-1-10-24-19)28-20(18)25-11-9-14-3-6-17(7-4-14)31(23,29)30/h1-8,10,12-13H,9,11H2,(H2,23,29,30)(H2,25,26,27,28)