6-[(4-chlorophenyl)sulfanylmethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[4-(4-fluorophenyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[4-(4-fluorophenyl)piperazino]-1H-pyrimidin-4-one Formula: C21H20ClFN4OS MolecularWeight: 430.926103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClFN4OS/c22-15-1-7-19(8-2-15)29-14-17-13-20(28)25-21(24-17)27-11-9-26(10-12-27)18-5-3-16(23)4-6-18/h1-8,13H,9-12,14H2,(H,24,25,28)