1-[4-[2-[1,3-bis(oxidanyl)propan-2-ylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-[2-[1,3-bis(oxidanyl)propan-2-ylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]pyrimidin-4-yl]oxyphenyl]urea CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1,3-dihydroxypropan-2-ylamino)-4-pyrimidinyl]oxy]phenyl]urea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]oxyphenyl]urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[(2-hydroxy-1-methylol-ethyl)amino]pyrimidin-4-yl]oxyphenyl]urea Formula: C21H19ClF3N5O4 MolecularWeight: 497.85487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=NC(=NC=C3)NC(CO)CO

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=NC(=NC=C3)NC(CO)CO

InChI

InChI=1S/C21H19ClF3N5O4/c22-17-6-3-13(9-16(17)21(23,24)25)29-20(33)28-12-1-4-15(5-2-12)34-18-7-8-26-19(30-18)27-14(10-31)11-32/h1-9,14,31-32H,10-11H2,(H,26,27,30)(H2,28,29,33)