1-(2-morpholin-4-ylethyl)-3-[4-[[4-oxidanylidene-3-propan-2-yl-1-[2,4,6-tris(chloranyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]urea

Systemtic Name: 1-(2-morpholin-4-ylethyl)-3-[4-[[4-oxidanylidene-3-propan-2-yl-1-[2,4,6-tris(chloranyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]urea Openeye Name: 1-[4-[[3-isopropyl-4-oxo-1-(2,4,6-trichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]-3-(2-morpholinoethyl)urea CAS Name: 1-[2-(4-morpholinyl)ethyl]-3-[4-[[4-oxo-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]urea IUPAC Name: 1-(2-morpholin-4-ylethyl)-3-[4-[[4-oxo-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]urea Traditional Name: 1-[4-[[3-isopropyl-4-keto-1-(2,4,6-trichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]-3-(2-morpholinoethyl)urea Formula: C28H30Cl3N7O3 MolecularWeight: 618.9419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=NC(=NC2=O)CC3=CC=C(C=C3)NC(=O)NCCN4CCOCC4)N(N1)C5=C(C=C(C=C5Cl)Cl)Cl

Isomeric SMILES

CC(C)C1=C2C(=NC(=NC2=O)CC3=CC=C(C=C3)NC(=O)NCCN4CCOCC4)N(N1)C5=C(C=C(C=C5Cl)Cl)Cl

InChI

InChI=1S/C28H30Cl3N7O3/c1-16(2)24-23-26(38(36-24)25-20(30)14-18(29)15-21(25)31)34-22(35-27(23)39)13-17-3-5-19(6-4-17)33-28(40)32-7-8-37-9-11-41-12-10-37/h3-6,14-16,36H,7-13H2,1-2H3,(H2,32,33,40)