6-[[5-fluoranyl-2-[(1-methyl-2-morpholin-4-yl-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-morpholin-4-yl-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-morpholino-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-(4-morpholinyl)-5-benzimidazolyl]amino]-4-pyrimidinyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[5-fluoro-2-[(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[5-fluoro-2-[(1-methyl-2-morpholino-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C25H25FN8O3 MolecularWeight: 504.516203

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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)N6CCOCC6)C

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)N(C(=N5)N6CCOCC6)C

InChI

InChI=1S/C25H25FN8O3/c1-14-23(35)30-19-12-15(4-6-21(19)37-14)28-22-17(26)13-27-24(32-22)29-16-3-5-20-18(11-16)31-25(33(20)2)34-7-9-36-10-8-34/h3-6,11-14H,7-10H2,1-2H3,(H,30,35)(H2,27,28,29,32)