4-(4-methylsulfonylphenyl)-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: 4-(4-methylsulfonylphenyl)-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine Openeye Name: 4-(4-methylsulfonylphenyl)-N-(tetrahydropyran-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine CAS Name: 4-(4-methylsulfonylphenyl)-N-(4-oxanylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: 4-(4-methylsulfonylphenyl)-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [4-(4-mesylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-(tetrahydropyran-4-ylmethyl)amine Formula: C18H20F3N3O3S MolecularWeight: 415.42991

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NC(=N2)NCC3CCOCC3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NC(=N2)NCC3CCOCC3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O3S/c1-28(25,26)14-4-2-13(3-5-14)15-10-16(18(19,20)21)24-17(23-15)22-11-12-6-8-27-9-7-12/h2-5,10,12H,6-9,11H2,1H3,(H,22,23,24)