[4-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: [4-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [4-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C31H29ClF3N5OS MolecularWeight: 612.10807

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)Cl

InChI

InChI=1S/C31H29ClF3N5OS/c1-38(20-22-6-3-2-4-7-22)28-19-27(32)36-30(37-28)42-21-23-10-12-24(13-11-23)29(41)40-16-14-39(15-17-40)26-9-5-8-25(18-26)31(33,34)35/h2-13,18-19H,14-17,20-21H2,1H3