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

Systemtic Name: N-butyl-4-(4-methylsulfonylphenyl)-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-butyl-4-(4-methylsulfonylphenyl)-N-tetrahydropyran-4-yl-6-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-butyl-4-(4-methylsulfonylphenyl)-N-(4-oxanyl)-6-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-butyl-4-(4-methylsulfonylphenyl)-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine Traditional Name: butyl-[4-(4-mesylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-tetrahydropyran-4-yl-amine Formula: C21H26F3N3O3S MolecularWeight: 457.50965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCOCC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCN(C1CCOCC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26F3N3O3S/c1-3-4-11-27(16-9-12-30-13-10-16)20-25-18(14-19(26-20)21(22,23)24)15-5-7-17(8-6-15)31(2,28)29/h5-8,14,16H,3-4,9-13H2,1-2H3