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

Systemtic Name: methyl 4-[[5-fluoranyl-4-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 4-[[5-fluoro-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[5-fluoro-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-fluoro-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[5-fluoro-4-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C21H18FN5O4 MolecularWeight: 423.397123

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H18FN5O4/c1-11-19(28)26-16-9-14(7-8-17(16)31-11)24-18-15(22)10-23-21(27-18)25-13-5-3-12(4-6-13)20(29)30-2/h3-11H,1-2H3,(H,26,28)(H2,23,24,25,27)