3-[[5-fluoranyl-2-[(4-methoxy-3,5-dimethyl-phenyl)amino]pyrimidin-4-yl]amino]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[[5-fluoranyl-2-[(4-methoxy-3,5-dimethyl-phenyl)amino]pyrimidin-4-yl]amino]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[[5-fluoro-2-(4-methoxy-3,5-dimethyl-anilino)pyrimidin-4-yl]amino]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[5-fluoro-2-(4-methoxy-3,5-dimethylanilino)-4-pyrimidinyl]amino]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[[5-fluoro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[[5-fluoro-2-(4-methoxy-3,5-dimethyl-anilino)pyrimidin-4-yl]amino]-N-propargyl-benzenesulfonamide Formula: C22H22FN5O3S MolecularWeight: 455.505183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)S(=O)(=O)NCC#C)F

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)S(=O)(=O)NCC#C)F

InChI

InChI=1S/C22H22FN5O3S/c1-5-9-25-32(29,30)18-8-6-7-16(12-18)26-21-19(23)13-24-22(28-21)27-17-10-14(2)20(31-4)15(3)11-17/h1,6-8,10-13,25H,9H2,2-4H3,(H2,24,26,27,28)