1-[5-fluoranyl-2-(trifluoromethyl)phenyl]-3-[3-[4-methyl-6-(2-morpholin-4-ylethylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[5-fluoranyl-2-(trifluoromethyl)phenyl]-3-[3-[4-methyl-6-(2-morpholin-4-ylethylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[5-fluoro-2-(trifluoromethyl)phenyl]-3-[3-[4-methyl-6-(2-morpholinoethylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trifluoromethyl)phenyl]urea CAS Name: 1-[5-fluoro-2-(trifluoromethyl)phenyl]-3-[3-[4-methyl-6-[2-(4-morpholinyl)ethylamino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[5-fluoro-2-(trifluoromethyl)phenyl]-3-[3-[4-methyl-6-(2-morpholin-4-ylethylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[5-fluoro-2-(trifluoromethyl)phenyl]-3-[3-[4-methyl-6-(2-morpholinoethylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trifluoromethyl)phenyl]urea Formula: C27H25F7N8O2 MolecularWeight: 626.528622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=NNC(=C12)C3=C(C(=CC=C3)NC(=O)NC4=C(C=CC(=C4)F)C(F)(F)F)C(F)(F)F)NCCN5CCOCC5

Isomeric SMILES

CC1=NC(=NC2=NNC(=C12)C3=C(C(=CC=C3)NC(=O)NC4=C(C=CC(=C4)F)C(F)(F)F)C(F)(F)F)NCCN5CCOCC5

InChI

InChI=1S/C27H25F7N8O2/c1-14-20-22(40-41-23(20)39-24(36-14)35-7-8-42-9-11-44-12-10-42)16-3-2-4-18(21(16)27(32,33)34)37-25(43)38-19-13-15(28)5-6-17(19)26(29,30)31/h2-6,13H,7-12H2,1H3,(H2,37,38,43)(H2,35,36,39,40,41)