pyrrolidin-1-yl-[4-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone

Systemtic Name: pyrrolidin-1-yl-[4-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone Openeye Name: pyrrolidin-1-yl-[4-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone CAS Name: 1-pyrrolidinyl-[4-[[[4-(1-pyrrolidinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]phenyl]methanone IUPAC Name: pyrrolidin-1-yl-[4-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone Traditional Name: pyrrolidino-[4-[[[4-pyrrolidino-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]phenyl]methanone Formula: C21H23F3N4OS MolecularWeight: 436.49373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H23F3N4OS/c22-21(23,24)17-13-18(27-9-1-2-10-27)26-20(25-17)30-14-15-5-7-16(8-6-15)19(29)28-11-3-4-12-28/h5-8,13H,1-4,9-12,14H2