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

Systemtic Name: 1-[2-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[1-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Openeye Name: 1-[2-chloro-3-(trifluoromethyl)phenyl]-3-[4-[1-methyl-4-(2-morpholinoethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea CAS Name: 1-[2-chloro-3-(trifluoromethyl)phenyl]-3-[4-[1-methyl-4-[2-(4-morpholinyl)ethylamino]-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]urea IUPAC Name: 1-[2-chloro-3-(trifluoromethyl)phenyl]-3-[4-[1-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Traditional Name: 1-[2-chloro-3-(trifluoromethyl)phenyl]-3-[4-[1-methyl-4-(2-morpholinoethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Formula: C26H26ClF3N8O2 MolecularWeight: 574.98525

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)C3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4Cl)C(F)(F)F)C(=NC=N2)NCCN5CCOCC5

Isomeric SMILES

CN1C2=C(C(=N1)C3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4Cl)C(F)(F)F)C(=NC=N2)NCCN5CCOCC5

InChI

InChI=1S/C26H26ClF3N8O2/c1-37-24-20(23(32-15-33-24)31-9-10-38-11-13-40-14-12-38)22(36-37)16-5-7-17(8-6-16)34-25(39)35-19-4-2-3-18(21(19)27)26(28,29)30/h2-8,15H,9-14H2,1H3,(H,31,32,33)(H2,34,35,39)