5-[[5-fluoranyl-4-[(1-prop-2-ynylindol-6-yl)amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[5-fluoranyl-4-[(1-prop-2-ynylindol-6-yl)amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[5-fluoro-4-[(1-prop-2-ynylindol-6-yl)amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[5-fluoro-4-[(1-prop-2-ynyl-6-indolyl)amino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[5-fluoro-4-[(1-prop-2-ynylindol-6-yl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[5-fluoro-4-[(1-propargylindol-6-yl)amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C22H19FN6O2S MolecularWeight: 450.488663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)C=CN4CC#C)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)C=CN4CC#C)F)S(=O)(=O)N

InChI

InChI=1S/C22H19FN6O2S/c1-3-9-29-10-8-15-5-7-16(11-19(15)29)26-21-18(23)13-25-22(28-21)27-17-6-4-14(2)20(12-17)32(24,30)31/h1,4-8,10-13H,9H2,2H3,(H2,24,30,31)(H2,25,26,27,28)