2-[[[5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenol

Systemtic Name: 2-[[[5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenol Openeye Name: 2-[[[5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenol CAS Name: 2-[[[5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]phenol IUPAC Name: 2-[[[5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenol Traditional Name: 2-[[[4-(4-mesylphenyl)-5-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenol Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C(F)(F)F)NCC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(N=C(N=C1C(F)(F)F)NCC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H18F3N3O3S/c1-12-17(13-7-9-15(10-8-13)30(2,28)29)25-19(26-18(12)20(21,22)23)24-11-14-5-3-4-6-16(14)27/h3-10,27H,11H2,1-2H3,(H,24,25,26)