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

Systemtic Name: 2-cyclopropyl-6-[[2-[(3,4-dimethoxy-5-oxidanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Openeye Name: 2-cyclopropyl-6-[[5-fluoro-2-(3-hydroxy-4,5-dimethoxy-anilino)pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one CAS Name: 2-cyclopropyl-6-[[5-fluoro-2-(3-hydroxy-4,5-dimethoxyanilino)-4-pyrimidinyl]amino]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-cyclopropyl-6-[[5-fluoro-2-(3-hydroxy-4,5-dimethoxyanilino)pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Traditional Name: 2-cyclopropyl-6-[[5-fluoro-2-(3-hydroxy-4,5-dimethoxy-anilino)pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Formula: C23H22FN5O5 MolecularWeight: 467.449683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(C(=O)N4)C5CC5)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(C(=O)N4)C5CC5)F

InChI

InChI=1S/C23H22FN5O5/c1-32-18-9-13(8-16(30)20(18)33-2)27-23-25-10-14(24)21(29-23)26-12-5-6-17-15(7-12)28-22(31)19(34-17)11-3-4-11/h5-11,19,30H,3-4H2,1-2H3,(H,28,31)(H2,25,26,27,29)