1-[4-[2-[[(2S,3S)-1,3-bis(oxidanyl)butan-2-yl]amino]pyrimidin-4-yl]oxyphenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-[2-[[(2S,3S)-1,3-bis(oxidanyl)butan-2-yl]amino]pyrimidin-4-yl]oxyphenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[[(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]amino]pyrimidin-4-yl]oxyphenyl]urea CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-4-pyrimidinyl]oxy]phenyl]urea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]oxyphenyl]urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[[(1S,2S)-2-hydroxy-1-methylol-propyl]amino]pyrimidin-4-yl]oxyphenyl]urea Formula: C22H21ClF3N5O4 MolecularWeight: 511.88145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CO)NC1=NC=CC(=N1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)O

Isomeric SMILES

C[C@@H]([C@H](CO)NC1=NC=CC(=N1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)O

InChI

InChI=1S/C22H21ClF3N5O4/c1-12(33)18(11-32)30-20-27-9-8-19(31-20)35-15-5-2-13(3-6-15)28-21(34)29-14-4-7-17(23)16(10-14)22(24,25)26/h2-10,12,18,32-33H,11H2,1H3,(H,27,30,31)(H2,28,29,34)/t12-,18-/m0/s1