2-[2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]sulfanylpyrimidin-4-amine

Systemtic Name: 2-[2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]sulfanylpyrimidin-4-amine Openeye Name: 2-[2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]sulfanylpyrimidin-4-amine CAS Name: 2-[[2-methyl-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]thio]-4-pyrimidinamine IUPAC Name: 2-[2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]sulfanylpyrimidin-4-amine Traditional Name: [2-[[2-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazino]propyl]thio]pyrimidin-4-yl]amine Formula: C19H24F3N5S MolecularWeight: 411.48757

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)CSC3=NC=CC(=N3)N

Isomeric SMILES

CC(CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)CSC3=NC=CC(=N3)N

InChI

InChI=1S/C19H24F3N5S/c1-14(13-28-18-24-6-5-17(23)25-18)12-26-7-9-27(10-8-26)16-4-2-3-15(11-16)19(20,21)22/h2-6,11,14H,7-10,12-13H2,1H3,(H2,23,24,25)