N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

Systemtic Name: N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine Openeye Name: N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: cyclopentylmethyl-[2-(4-mesylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3CCCC3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3CCCC3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2S/c1-27(25,26)14-8-6-13(7-9-14)17-23-15(18(19,20)21)10-16(24-17)22-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3,(H,22,23,24)