5-[[4-[(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)amino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)amino]-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-[(4-ethyl-3-keto-1,4-benzoxazin-6-yl)amino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C21H21FN6O4S MolecularWeight: 472.492643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)COC2=C1C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4)C)S(=O)(=O)N

Isomeric SMILES

CCN1C(=O)COC2=C1C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4)C)S(=O)(=O)N

InChI

InChI=1S/C21H21FN6O4S/c1-3-28-16-8-13(6-7-17(16)32-11-19(28)29)25-20-15(22)10-24-21(27-20)26-14-5-4-12(2)18(9-14)33(23,30)31/h4-10H,3,11H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)