N-butyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: N-butyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-butyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-butyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-butyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine Traditional Name: butyl-[4-(4-mesylphenyl)-5-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amine Formula: C17H20F3N3O2S MolecularWeight: 387.41981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(C(=N1)C(F)(F)F)C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCNC1=NC(=C(C(=N1)C(F)(F)F)C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H20F3N3O2S/c1-4-5-10-21-16-22-14(11(2)15(23-16)17(18,19)20)12-6-8-13(9-7-12)26(3,24)25/h6-9H,4-5,10H2,1-3H3,(H,21,22,23)