N-(1-benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

Systemtic Name: N-(1-benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine Openeye Name: N-(benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: N-(1-benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: benzothiophen-3-ylmethyl-[2-(4-mesylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C21H16F3N3O2S2 MolecularWeight: 463.49585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CSC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CSC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H16F3N3O2S2/c1-31(28,29)15-8-6-13(7-9-15)20-26-18(21(22,23)24)10-19(27-20)25-11-14-12-30-17-5-3-2-4-16(14)17/h2-10,12H,11H2,1H3,(H,25,26,27)