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

Systemtic Name: 6-[[2-[(1,2-dimethylbenzimidazol-5-yl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[2-[(1,2-dimethylbenzimidazol-5-yl)amino]-5-fluoro-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[2-[(1,2-dimethyl-5-benzimidazolyl)amino]-5-fluoro-4-pyrimidinyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[2-[(1,2-dimethylbenzimidazol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[2-[(1,2-dimethylbenzimidazol-5-yl)amino]-5-fluoro-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C22H20FN7O2 MolecularWeight: 433.438303

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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(=N5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN7O2/c1-11-21(31)28-17-9-13(5-7-19(17)32-11)26-20-15(23)10-24-22(29-20)27-14-4-6-18-16(8-14)25-12(2)30(18)3/h4-11H,1-3H3,(H,28,31)(H2,24,26,27,29)