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

Systemtic Name: [3-[[5-fluoranyl-4-[(1-prop-2-ynylindol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: [3-[[5-fluoro-4-[(1-prop-2-ynylindol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide CAS Name: [3-[[5-fluoro-4-[(1-prop-2-ynyl-5-indolyl)amino]-2-pyrimidinyl]amino]phenyl]methanesulfonamide IUPAC Name: [3-[[5-fluoro-4-[(1-prop-2-ynylindol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: [3-[[5-fluoro-4-[(1-propargylindol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide Formula: C22H19FN6O2S MolecularWeight: 450.488663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN6O2S/c1-2-9-29-10-8-16-12-18(6-7-20(16)29)26-21-19(23)13-25-22(28-21)27-17-5-3-4-15(11-17)14-32(24,30)31/h1,3-8,10-13H,9,14H2,(H2,24,30,31)(H2,25,26,27,28)