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

Systemtic Name: 6-[[2-[(3,5-dimethylphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[2-(3,5-dimethylanilino)-5-fluoro-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[2-(3,5-dimethylanilino)-5-fluoro-4-pyrimidinyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[2-(3,5-dimethylanilino)-5-fluoro-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C21H20FN5O2 MolecularWeight: 393.414203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O2/c1-11-6-12(2)8-15(7-11)25-21-23-10-16(22)19(27-21)24-14-4-5-18-17(9-14)26-20(28)13(3)29-18/h4-10,13H,1-3H3,(H,26,28)(H2,23,24,25,27)