2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentylsulfanyl]pyrimidin-4-amine

Systemtic Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentylsulfanyl]pyrimidin-4-amine Openeye Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentylsulfanyl]pyrimidin-4-amine CAS Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]pentylthio]-4-pyrimidinamine IUPAC Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentylsulfanyl]pyrimidin-4-amine Traditional Name: [2-[5-[4-[3-(trifluoromethyl)phenyl]piperazino]pentylthio]pyrimidin-4-yl]amine Formula: C20H26F3N5S MolecularWeight: 425.51415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCSC2=NC=CC(=N2)N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCCSC2=NC=CC(=N2)N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H26F3N5S/c21-20(22,23)16-5-4-6-17(15-16)28-12-10-27(11-13-28)9-2-1-3-14-29-19-25-8-7-18(24)26-19/h4-8,15H,1-3,9-14H2,(H2,24,25,26)