3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H25F3N4OS MolecularWeight: 462.53101

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C23H25F3N4OS/c24-23(25,26)16-4-3-5-17(14-16)29-11-8-28(9-12-29)10-13-30-15-27-21-20(22(30)31)18-6-1-2-7-19(18)32-21/h3-5,14-15H,1-2,6-13H2