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

Systemtic Name: 1-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-methyl-4-[1-methyl-6-(2-morpholinoethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-methyl-4-[1-methyl-6-[2-(4-morpholinyl)ethylamino]-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[2-methyl-4-[1-methyl-6-(2-morpholinoethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C27H29F3N8O2 MolecularWeight: 554.56677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C3=NC(=NC=C23)NCCN4CCOCC4)C)NC(=O)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C3=NC(=NC=C23)NCCN4CCOCC4)C)NC(=O)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C27H29F3N8O2/c1-17-14-18(6-7-22(17)34-26(39)33-20-5-3-4-19(15-20)27(28,29)30)23-21-16-32-25(35-24(21)37(2)36-23)31-8-9-38-10-12-40-13-11-38/h3-7,14-16H,8-13H2,1-2H3,(H,31,32,35)(H2,33,34,39)