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

Systemtic Name: 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[1-[(2-hydroxyethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Openeye Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[1-[(2-hydroxyethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea CAS Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[1-[(2-hydroxyethylamino)methyl]-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]urea IUPAC Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[1-[(2-hydroxyethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Traditional Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[1-[(2-hydroxyethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Formula: C22H19F4N7O2 MolecularWeight: 489.425573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C3=NC=NC=C23)CNCCO)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C3=NC=NC=C23)CNCCO)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F

InChI

InChI=1S/C22H19F4N7O2/c23-17-6-3-14(22(24,25)26)9-18(17)31-21(35)30-15-4-1-13(2-5-15)19-16-10-28-11-29-20(16)33(32-19)12-27-7-8-34/h1-6,9-11,27,34H,7-8,12H2,(H2,30,31,35)