2-[3-[[4-[(2,2-dimethyl-3-oxidanylidene-5-pyridin-2-yl-4H-1,4-benzoxazin-6-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]phenoxy]-N-methyl-ethanamide

Systemtic Name: 2-[3-[[4-[(2,2-dimethyl-3-oxidanylidene-5-pyridin-2-yl-4H-1,4-benzoxazin-6-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]phenoxy]-N-methyl-ethanamide Openeye Name: 2-[3-[[4-[[2,2-dimethyl-3-oxo-5-(2-pyridyl)-4H-1,4-benzoxazin-6-yl]amino]-5-fluoro-pyrimidin-2-yl]amino]phenoxy]-N-methyl-acetamide CAS Name: 2-[3-[[4-[[2,2-dimethyl-3-oxo-5-(2-pyridinyl)-4H-1,4-benzoxazin-6-yl]amino]-5-fluoro-2-pyrimidinyl]amino]phenoxy]-N-methylacetamide IUPAC Name: 2-[3-[[4-[(2,2-dimethyl-3-oxo-5-pyridin-2-yl-4H-1,4-benzoxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]amino]phenoxy]-N-methylacetamide Traditional Name: 2-[3-[[5-fluoro-4-[[3-keto-2,2-dimethyl-5-(2-pyridyl)-4H-1,4-benzoxazin-6-yl]amino]pyrimidin-2-yl]amino]phenoxy]-N-methyl-acetamide Formula: C28H26FN7O4 MolecularWeight: 543.548943

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(O1)C=CC(=C2C3=CC=CC=N3)NC4=NC(=NC=C4F)NC5=CC(=CC=C5)OCC(=O)NC)C

Isomeric SMILES

CC1(C(=O)NC2=C(O1)C=CC(=C2C3=CC=CC=N3)NC4=NC(=NC=C4F)NC5=CC(=CC=C5)OCC(=O)NC)C

InChI

InChI=1S/C28H26FN7O4/c1-28(2)26(38)35-24-21(40-28)11-10-20(23(24)19-9-4-5-12-31-19)34-25-18(29)14-32-27(36-25)33-16-7-6-8-17(13-16)39-15-22(37)30-3/h4-14H,15H2,1-3H3,(H,30,37)(H,35,38)(H2,32,33,34,36)