3-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H16FN7O2S MolecularWeight: 437.450143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NC=C4CC#N)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NC=C4CC#N)F

InChI

InChI=1S/C20H16FN7O2S/c21-17-11-25-20(27-13-2-1-3-15(8-13)31(23,29)30)28-19(17)26-14-4-5-18-16(9-14)12(6-7-22)10-24-18/h1-5,8-11,24H,6H2,(H2,23,29,30)(H2,25,26,27,28)