3-[[5-fluoranyl-4-[(1-prop-2-ynylindol-5-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-fluoranyl-4-[(1-prop-2-ynylindol-5-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-fluoro-4-[(1-prop-2-ynylindol-5-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-fluoro-4-[(1-prop-2-ynyl-5-indolyl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-fluoro-4-[(1-prop-2-ynylindol-5-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-fluoro-4-[(1-propargylindol-5-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H17FN6O2S MolecularWeight: 436.462083

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=CC2=C1C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C#CCN1C=CC2=C1C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C21H17FN6O2S/c1-2-9-28-10-8-14-11-16(6-7-19(14)28)25-20-18(22)13-24-21(27-20)26-15-4-3-5-17(12-15)31(23,29)30/h1,3-8,10-13H,9H2,(H2,23,29,30)(H2,24,25,26,27)