2-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

Systemtic Name: 2-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine Openeye Name: 2-(4-methylsulfonylphenyl)-N-(3-pyridylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: 2-(4-methylsulfonylphenyl)-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: 2-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: [2-(4-mesylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H15F3N4O2S MolecularWeight: 408.39751

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CN=CC=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CN=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O2S/c1-28(26,27)14-6-4-13(5-7-14)17-24-15(18(19,20)21)9-16(25-17)23-11-12-3-2-8-22-10-12/h2-10H,11H2,1H3,(H,23,24,25)