4-[[4-[[4-(1-cyanoethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[[4-(1-cyanoethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C19H17FN6O3S MolecularWeight: 428.440083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C#N)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H17FN6O3S/c1-12(10-21)29-15-6-2-13(3-7-15)24-18-17(20)11-23-19(26-18)25-14-4-8-16(9-5-14)30(22,27)28/h2-9,11-12H,1H3,(H2,22,27,28)(H2,23,24,25,26)