N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[2-(4-mesylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C20H16F3N5O2S MolecularWeight: 447.43355

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=NC4=CC=CC=C4N3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=NC4=CC=CC=C4N3)C(F)(F)F

InChI

InChI=1S/C20H16F3N5O2S/c1-31(29,30)13-8-6-12(7-9-13)19-27-16(20(21,22)23)10-17(28-19)24-11-18-25-14-4-2-3-5-15(14)26-18/h2-10H,11H2,1H3,(H,25,26)(H,24,27,28)