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

Systemtic Name: 6-[[5-fluoranyl-2-[(1-methyl-2-oxidanylidene-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[5-fluoro-2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[5-fluoro-2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)amino]-4-pyrimidinyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[5-fluoro-2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[5-fluoro-2-[(2-keto-1-methyl-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C21H18FN7O3 MolecularWeight: 435.411123

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)N(C(=O)N5)C

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)N(C(=O)N5)C

InChI

InChI=1S/C21H18FN7O3/c1-10-19(30)26-15-8-11(4-6-17(15)32-10)24-18-13(22)9-23-20(28-18)25-12-3-5-16-14(7-12)27-21(31)29(16)2/h3-10H,1-2H3,(H,26,30)(H,27,31)(H2,23,24,25,28)