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

Systemtic Name: 1-[4-[4-(2-morpholin-4-ylethylamino)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2,3,4,5-tetrakis(fluoranyl)-6-methyl-phenyl]urea Openeye Name: 1-[4-[1-benzyl-4-(2-morpholinoethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(2,3,4,5-tetrafluoro-6-methyl-phenyl)urea CAS Name: 1-[4-[4-[2-(4-morpholinyl)ethylamino]-1-(phenylmethyl)-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-(2,3,4,5-tetrafluoro-6-methylphenyl)urea IUPAC Name: 1-[4-[1-benzyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(2,3,4,5-tetrafluoro-6-methylphenyl)urea Traditional Name: 1-[4-[1-benzyl-4-(2-morpholinoethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(2,3,4,5-tetrafluoro-6-methyl-phenyl)urea Formula: C32H30F4N8O2 MolecularWeight: 634.626613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)F)F)F)NC(=O)NC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)NCCN5CCOCC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=C(C(=C1F)F)F)F)NC(=O)NC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)NCCN5CCOCC5)CC6=CC=CC=C6

InChI

InChI=1S/C32H30F4N8O2/c1-19-24(33)25(34)26(35)27(36)28(19)41-32(45)40-22-9-7-21(8-10-22)29-23-30(37-11-12-43-13-15-46-16-14-43)38-18-39-31(23)44(42-29)17-20-5-3-2-4-6-20/h2-10,18H,11-17H2,1H3,(H,37,38,39)(H2,40,41,45)