2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]pyrimidin-4-amine

Systemtic Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]pyrimidin-4-amine Openeye Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]pyrimidin-4-amine CAS Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propylthio]-4-pyrimidinamine IUPAC Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]pyrimidin-4-amine Traditional Name: [2-[3-[4-[3-(trifluoromethyl)phenyl]piperazino]propylthio]pyrimidin-4-yl]amine Formula: C18H22F3N5S MolecularWeight: 397.46099

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC=CC(=N2)N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCSC2=NC=CC(=N2)N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H22F3N5S/c19-18(20,21)14-3-1-4-15(13-14)26-10-8-25(9-11-26)7-2-12-27-17-23-6-5-16(22)24-17/h1,3-6,13H,2,7-12H2,(H2,22,23,24)