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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)COC2=C1C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCCN1C(=O)COC2=C1C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H21FN6O4S/c1-2-9-28-17-10-14(5-8-18(17)32-12-19(28)29)25-20-16(22)11-24-21(27-20)26-13-3-6-15(7-4-13)33(23,30)31/h3-8,10-11H,2,9,12H2,1H3,(H2,23,30,31)(H2,24,25,26,27)