5-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]-N,2-dimethyl-benzenesulfonamide

Systemtic Name: 5-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]-N,2-dimethyl-benzenesulfonamide Openeye Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-N,2-dimethyl-benzenesulfonamide CAS Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)-2-pyrimidinyl]amino]-N,2-dimethylbenzenesulfonamide IUPAC Name: 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-N,2-dimethylbenzenesulfonamide Traditional Name: 5-[[5-fluoro-4-(4-propargyloxyanilino)pyrimidin-2-yl]amino]-N,2-dimethyl-benzenesulfonamide Formula: C21H20FN5O3S MolecularWeight: 441.478603

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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)OCC#C)F)S(=O)(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O3S/c1-4-11-30-17-9-7-15(8-10-17)25-20-18(22)13-24-21(27-20)26-16-6-5-14(2)19(12-16)31(28,29)23-3/h1,5-10,12-13,23H,11H2,2-3H3,(H2,24,25,26,27)