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

Systemtic Name: 6-[[5-fluoranyl-2-[(3-methoxy-2-methyl-phenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[5-fluoro-2-(3-methoxy-2-methyl-anilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[5-fluoro-2-(3-methoxy-2-methylanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[5-fluoro-2-(3-methoxy-2-methylanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[5-fluoro-2-(3-methoxy-2-methyl-anilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(C(=O)N4)(C)C)F

Isomeric SMILES

CC1=C(C=CC=C1OC)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(C(=O)N4)(C)C)F

InChI

InChI=1S/C22H22FN5O3/c1-12-15(6-5-7-17(12)30-4)27-21-24-11-14(23)19(28-21)25-13-8-9-18-16(10-13)26-20(29)22(2,3)31-18/h5-11H,1-4H3,(H,26,29)(H2,24,25,27,28)