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

Systemtic Name: 6-[[2-azanyl-6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-fluoranyl-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[2-amino-6-(5-chloro-2,4-dimethoxy-phenyl)-5-fluoro-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[2-amino-6-(5-chloro-2,4-dimethoxyphenyl)-5-fluoro-4-pyrimidinyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[2-amino-6-(5-chloro-2,4-dimethoxyphenyl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[2-amino-6-(5-chloro-2,4-dimethoxy-phenyl)-5-fluoro-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C21H19ClFN5O4 MolecularWeight: 459.858063

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC(=C3F)C4=CC(=C(C=C4OC)OC)Cl)N

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC(=C3F)C4=CC(=C(C=C4OC)OC)Cl)N

InChI

InChI=1S/C21H19ClFN5O4/c1-9-20(29)26-13-6-10(4-5-14(13)32-9)25-19-17(23)18(27-21(24)28-19)11-7-12(22)16(31-3)8-15(11)30-2/h4-9H,1-3H3,(H,26,29)(H3,24,25,27,28)