5-[[5-fluoranyl-4-[[4-(prop-2-ynylamino)phenyl]amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[5-fluoranyl-4-[[4-(prop-2-ynylamino)phenyl]amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[5-fluoro-4-[4-(prop-2-ynylamino)anilino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[5-fluoro-4-[4-(prop-2-ynylamino)anilino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[5-fluoro-4-[4-(prop-2-ynylamino)anilino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[5-fluoro-4-[4-(propargylamino)anilino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C20H19FN6O2S MolecularWeight: 426.467263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN6O2S/c1-3-10-23-14-6-8-15(9-7-14)25-19-17(21)12-24-20(27-19)26-16-5-4-13(2)18(11-16)30(22,28)29/h1,4-9,11-12,23H,10H2,2H3,(H2,22,28,29)(H2,24,25,26,27)